Information card for entry 4075253

Structure parameters

• Formula: C47 H42 Fe N6 O Sn2
• Calculated formula: C47 H42 Fe N6 O Sn2
• Title of publication: A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters
• Authors of publication: Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 5996
• a: 14.3366 ± 0.001 Å
• b: 21.9394 ± 0.0015 Å
• c: 29.751 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9357.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No