Information card for entry 4335155

Structure parameters

• Formula: C172 H184 Cu12 Fe4 O9 P8 Te8
• Calculated formula: C172 H112 Cu12 Fe4 O9 P8 Te8
• 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: 30.448 ± 0.006 Å
• b: 16.561 ± 0.003 Å
• c: 35.833 ± 0.007 Å
• α: 90°
• β: 101.85 ± 0.03°
• γ: 90°
• Cell volume: 17684 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No