Information card for entry 4078265

Structure parameters

• Formula: C90 H84 Cl22 N16 O15 Re4 S32
• Calculated formula: C90 H84 Cl22 N16 O15 Re4 S32
• Title of publication: Tricarbonyl Mono- and Dinuclear Rhenium(I) Complexes with Redox-Active Bis(pyrazole)–Tetrathiafulvalene Ligands: Syntheses, Crystal Structures, and Properties
• Authors of publication: Xiong, Jing; Liu, Wei; Wang, Yong; Cui, Long; Li, Yi-Zhi; Zuo, Jing-Lin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 3938
• a: 11.2192 ± 0.0011 Å
• b: 11.7727 ± 0.0014 Å
• c: 32.7018 ± 0.0018 Å
• α: 85.256 ± 0.002°
• β: 88.35 ± 0.003°
• γ: 67.472 ± 0.002°
• Cell volume: 3976 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No