Information card for entry 4064980

Structure parameters

• Formula: C52.5 H33.5 Cl Fe4 N0 Ni O12.25 P2 S4 Se2
• Calculated formula: C52.5 H33 Cl Fe4 Ni O12.25 P2 S4 Se2
• Title of publication: Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes
• Authors of publication: Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4899
• a: 14.793 ± 0.003 Å
• b: 17.757 ± 0.004 Å
• c: 23.802 ± 0.005 Å
• α: 90°
• β: 103.7 ± 0.03°
• γ: 90°
• Cell volume: 6074 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No