Materials Data on C by Materials Project

Abstract

C crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two coronene molecules. there are twelve inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is two shorter (1.39 Å) and one longer (1.50 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 1.24 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 1.24 Å. In the fourth 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 fifth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.38 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.45 Å) and one longer (1.49 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 1.39 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.50 Å. In the ninth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.24 Å. 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 1.38 Å. In the twelfth C site, C is bonded in a bent 120 degrees geometry to two C atoms.