Information card for entry 2007791

Structure parameters

• Chemical name: hexamethylthiobenzenecopper(I) hexafluorophosphate
• Formula: C12 H18 Cu F6 P S6
• Calculated formula: C12 H18 Cu F6 P S6
• Title of publication: A Linear-Chain Copper(I) Coordination Polymer with Hexakis(methylthio)benzene
• Authors of publication: Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Maekawa, Masahiko; Morimoto, Hiroshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1566 - 1569
• a: 10.901 ± 0.002 Å
• b: 10.901 ± 0.002 Å
• c: 17.403 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2068 ± 0.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No