Information card for entry 7004235

Structure parameters

• Formula: C116 H96 Cu4 Fe4 O4 P4 Se4
• Calculated formula: C116 H96 Cu4 Fe4 O4 P4 Se4
• Title of publication: New reagents for the synthesis of a series of ferrocenoyl functionalized copper and silver chalcogenolate complexes
• Authors of publication: MacDonald, Daniel G.; Corrigan, John F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5048 - 5053
• a: 18.1709 ± 0.0011 Å
• b: 18.1709 ± 0.0011 Å
• c: 15.2964 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5050.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No