Information card for entry 4331739

Structure parameters

• Formula: C76 H50 Cl2 Fe O15 S48
• Calculated formula: C76 H48 Cl2 Fe O15 S48
• Title of publication: New BDH-TTP/[MIII(C5O5)3]3- (M = Fe, Ga) Isostructural Molecular Metals
• Authors of publication: Luca Pilia; Elisa Sessini; Flavia Artizzu; Masahiro Yamashita; Angela Serpe; Kazuya Kubo; Hiroshi Ito; Hisaaki Tanaka; Shin-ichi Kuroda; Jun-ichi Yamada; Paola Deplano; Carlos J. Gómez-García; Maria Laura Mercuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 423 - 430
• a: 44.603 ± 0.007 Å
• b: 10.6036 ± 0.0016 Å
• c: 25.964 ± 0.004 Å
• α: 90°
• β: 123.738 ± 0.003°
• γ: 90°
• Cell volume: 10212 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No