Information card for entry 4335154

Structure parameters

• Formula: C86 H92 Cu4 Fe2 O4.5 P4 Te3
• Calculated formula: C86 H92 Cu4 Fe2 O4.5 P4 Te3
• 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: 26.451 ± 0.004 Å
• b: 18.553 ± 0.002 Å
• c: 18.152 ± 0.002 Å
• α: 90°
• β: 109.966 ± 0.003°
• γ: 90°
• Cell volume: 8372.6 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1494
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No