Information card for entry 4318549

Structure parameters

• Common name: R,R-7Cl.solvate
• Formula: C52 H84 Cl2 Cu5 N6.5 O4 S6
• Calculated formula: C52 H84 Cl2.001 Cu5 N6.5 O3.98 S6
• Title of publication: Charge-Transfer Spectra of Structurally Characterized Mixed-Valence Thiolate-Bridged Cu(I)/Cu(II) Cluster Complexes
• Authors of publication: Robert T. Stibrany; Ronald Fikar; Mark Brader; Marc N. Potenza; Joseph A. Potenza; Harvey J. Schugar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5203 - 5215
• a: 19.312 ± 0.002 Å
• b: 19.312 ± 0.002 Å
• c: 19.312 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7202.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No