Materials Data on MnH30C8(N13O9)2 by Materials Project
MnH21(C2N5)3C2N5H9(NO3)6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nqwip molecules, twelve nitric acid molecules, and two MnH21(C2N5)3 clusters. In each MnH21(C2N5)3 cluster, Mn is bonded in an octahedral geometry to six N atoms. There are a spread of Mn–N bond distances ranging from 1.94–1.98 Å. There are six inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.32–1.37 Å. In the second C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.32–1.37 Å. In the third C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.31–1.38 Å. In the fourth C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.31–1.38 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.31–1.37 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.32–1.38 Å. There are fifteen inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.03 Å. In the second N site, N is bonded in a trigonal planar geometry to one C and two H atoms. Both N–H bond lengths are 1.02 Å. In the third N site, N is bonded in a trigonal planar geometry to two C and one H atom. The N–H bond length is 1.04 Å. In the fourth N site, N is bonded in a distorted trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.03 Å. In the fifth N site, N is bonded in a trigonal planar geometry to one C and two H atoms. Both N–H bond lengths are 1.03 Å. In the sixth N site, N is bonded in a distorted trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.02 Å. In the seventh N site, N is bonded in a trigonal planar geometry to one C and two H atoms. Both N–H bond lengths are 1.02 Å. In the eighth N site, N is bonded in a trigonal planar geometry to two C and one H atom. The N–H bond length is 1.04 Å. In the ninth N site, N is bonded in a distorted trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.03 Å. In the tenth N site, N is bonded in a trigonal planar geometry to one C and two H atoms. Both N–H bond lengths are 1.02 Å. In the eleventh N site, N is bonded in a trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.03 Å. In the twelfth N site, N is bonded in a trigonal planar geometry to one C and two H atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the thirteenth N site, N is bonded in a trigonal planar geometry to two C and one H atom. The N–H bond length is 1.03 Å. In the fourteenth N site, N is bonded in a distorted trigonal planar geometry to one Mn, one C, and one H atom. The N–H bond length is 1.03 Å. In the fifteenth N site, N is bonded in a trigonal planar geometry to one C and two H atoms. Both N–H bond lengths are 1.02 Å. There are twenty-one inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N atom. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. In the fifth H site, H is bonded in a single-bond geometry to one N atom. In the sixth H site, H is bonded in a single-bond geometry to one N atom. In the seventh H site, H is bonded in a single-bond geometry to one N atom. In the eighth H site, H is bonded in a single-bond geometry to one N atom. In the ninth H site, H is bonded in a single-bond geometry to one N atom. In the tenth H site, H is bonded in a single-bond geometry to one N atom. In the eleventh H site, H is bonded in a single-bond geometry to one N atom. In the twelfth H site, H is bonded in a single-bond geometry to one N atom. In the thirteenth H site, H is bonded in a single-bond geometry to one N atom. In the fourteenth H site, H is bonded in a single-bond geometry to one N atom. In the fifteenth H site, H is bonded in a single-bond geometry to one N atom. In the sixteenth H site, H is bonded in a single-bond geometry to one N atom. In the seventeenth H site, H is bonded in a single-bond geometry to one N atom. In the eighteenth H site, H is bonded in a single-bond geometry to one N atom. In the nineteenth H site, H is bonded in a single-bond geometry to one N atom. In the twentieth H site, H is bonded in a single-bond geometry to one N atom. In the twenty-first H site, H is bonded in a single-bond geometry to one N atom.