Information card for entry 4316972

Structure parameters

• Formula: C52.25 H34.5 Cl0.5 Fe4 Ni O12 P2 S6
• Calculated formula: C52.25 H34 Cl0.5 Fe4 Ni O12 P2 S6
• Title of publication: Synthetic and Structural Investigations of Linear and Macrocyclic Nickel/Iron/Sulfur Cluster Complexes
• Authors of publication: Li-Cheng Song; Yu-Long Li; Ling Li; Zhen-Chao Gu; Qing-Mei Hu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10174 - 10182
• a: 35.014 ± 0.007 Å
• b: 14.72 ± 0.003 Å
• c: 27.319 ± 0.006 Å
• α: 90°
• β: 124.11 ± 0.03°
• γ: 90°
• Cell volume: 11658 ± 6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No