Information card for entry 4335151

Structure parameters

• Formula: C146 H120 Cl30 Cu12 Fe4 P8 S6
• Calculated formula: C146 H120 Cl30 Cu12 Fe4 P8 S6
• Title of publication: Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands
• Authors of publication: Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6798 - 6805
• a: 21.4243 ± 0.0002 Å
• b: 21.4243 ± 0.0002 Å
• c: 17.8779 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8205.97 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No