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At least 343 records · Page 19

Materials Data on C by Materials Project

C crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one C sheet oriented in the (0, 0, 1) direction. there are forty-one inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. All C–C bond lengths are 1.42 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. All C–C bond lengths are 1.43 Å. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the seventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.44 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.42 Å) C–C bond length. In the seventeenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the eighteenth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the nineteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.37 Å) and one longer (1.42 Å) C–C bond length. In the twentieth C site, C is bonded in a single-bond geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the twenty-first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the twenty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-third C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the twenty-seventh C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the twenty-eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the twenty-ninth C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the thirtieth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-first C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent C atoms. In the thirty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the thirty-sixth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the thirty-seventh C site, C is bonded in a single-bond geometry to three C atoms. In the thirty-eighth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-ninth C site, C is bonded in a bent 120 degrees geometry to three C atoms. The C–C bond length is 1.42 Å. In the fortieth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the forty-first C site, C is bonded in a trigonal planar geometry to three C atoms.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two C ribbons oriented in the (0, 0, 1) direction. there are twenty-one inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.39–1.47 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.42–1.45 Å. In the fourth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.46 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.39 Å) and two longer (1.45 Å) C–C bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.44 Å) C–C bond length. In the seventh C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.52–1.60 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and two longer (1.44 Å) C–C bond length. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the fifteenth C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. Both C–C bond lengths are 1.52 Å. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the seventeenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.38 Å. In the eighteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the nineteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twentieth C site, C is bonded in a trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.47 Å) C–C bond length. In the twenty-first C site, C is bonded in a trigonal planar geometry to three C atoms.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C is gamma nitrogen structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four C clusters. there are twenty inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.37–1.44 Å. In the second C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.38 Å) C–C bond length. In the third C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.28 Å. In the fourth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.37 Å. In the fifth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.34 Å) C–C bond length. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.53 Å) C–C bond length. In the eighth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.24 Å. In the ninth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the tenth C site, C is bonded in a distorted bent 150 degrees geometry to two C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a distorted trigonal non-coplanar geometry to three C atoms. The C–C bond length is 1.38 Å. In the twelfth C site, C is bonded in a 2-coordinate geometry to three C atoms. There is one shorter (1.35 Å) and one longer (1.57 Å) C–C bond length. In the thirteenth C site, C is bonded in a 3-coordinate geometry to three C atoms. There is one shorter (1.30 Å) and one longer (1.41 Å) C–C bond length. In the fourteenth C site, C is bonded in a 3-coordinate geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.29 Å. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the seventeenth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the eighteenth C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.31 Å. In the nineteenth C site, C is bonded in a bent 150 degrees geometry to two C atoms. In the twentieth C site, C is bonded in a single-bond geometry to one C atom.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.40–1.45 Å. In the second C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.53 Å) and two longer (1.61 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.45 Å. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.40–1.45 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.48 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.37–1.59 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.38–1.43 Å. In the third C site, C is bonded in a tetrahedral geometry to four C atoms. There are a spread of C–C bond distances ranging from 1.50–1.73 Å. In the fourth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.44 Å) and one longer (1.49 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.36–1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.39–1.52 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.37 Å. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.52 Å. In the eleventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.35 Å) and one longer (1.51 Å) C–C bond length. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.55 Å. In the fourteenth C site, C is bonded in a tetrahedral geometry to four C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.51 Å. In the sixteenth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.47 Å) C–C bond length. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.40–1.46 Å. In the third C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.55–1.61 Å. In the fourth C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.53–1.64 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.39 Å) and one longer (1.44 Å) C–C bond length. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.30–1.46 Å. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the tenth C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.29 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.45 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.54 Å) and one longer (1.57 Å) C–C bond length. In the fourteenth C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. The C–C bond length is 1.47 Å. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms.

36 MATERIALS SCIENCE↗

Materials Data on C by Materials Project

C crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two phenanthrene molecules. there are fourteen inequivalent C sites. In the first C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.28 Å) and one longer (1.40 Å) C–C bond length. In the second C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the third C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.27 Å. In the fourth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the fifth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.39 Å) C–C bond length. In the sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the seventh C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.28 Å. In the eighth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.40 Å. In the ninth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.24 Å) and one longer (1.39 Å) C–C bond length. In the tenth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.56 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.56 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms.

36 MATERIALS SCIENCE↗

Ligand and Linkage Isomers of Bis(ethylthiocarbamato) Copper Complexes with Cyclic C 6 H 8 Backbone Substituents: Synthesis, Characterization, and Antiproliferation Activity

Abstract A series of isomeric bis(alkylthiocarbamate) copper complexes have been synthesized, characterized, and evaluated for antiproliferation activity. The complexes were derived from ligand isomers with 3‐methylpentyl (H 2 L 2 ) and cyclohexyl (H 2 L 3 ) backbone substituents, which each yield a pair of linkage isomers. The thermodynamic products CuL 2a/3a have two imino N and two S donors resulting in three five‐member chelate rings (555 isomers). The kinetic isomers CuL 2b/3b have one imino and one hydrazino N donor and two S donors resulting in four‐, six‐, and five‐member rings (465 isomers). The 555 isomers have more accessible Cu II/I potentials (E 1/2 =−811/−768 mV vs. ferrocenium/ferrocene) and lower energy charge transfer bands than their 465 counterparts (E 1/2 =−923/‐854 mV). Antiproliferation activities were evaluated against the lung adenocarcinoma cell line (A549) and nonmalignant lung fibroblast cell line (IMR‐90) using the MTT assay. CuL 2a was potent ( A549 EC 50 =0.080 μM) and selective ( IMR‐90 EC 50 / A549 EC 50 =25) for A549. Its linkage isomer CuL 2b had equivalent A549 activity, but lower selectivity ( IMR‐90 EC 50 / A549 EC 50 =12.5). The isomers CuL 3a and CuL 3b were less potent with A549 EC 50 values of 1.9 and 0.19 M and less selective with IMR‐90 EC 50 / A549 EC 50 ratios of 2.3 and 2.65, respectively. There was no correlation between reduction potential and A549 antiproliferation activity/selectivity.

Chemistry↗

cymyc: $\underline{C}$alabi-$\underline{Y}$au $\underline{M}$etrics, $\underline{Y}$ukawas, and $\underline{C}$urvature

We introduce cymyc, a high-performance Python library for numerical investigation of the geometry of a large class of string compactification manifolds and their associated moduli spaces. We develop a well-defined geometric ansatz to numerically model tensor fields of arbitrary degree on a large class of Calabi-Yau manifolds. cymyc includes a machine learning component which incorporates this ansatz to model tensor fields of interest on these spaces by finding an approximate solution to the system of partial differential equations they should satisfy.

differential and algebraic geometry↗