Information card for entry 4318547

Structure parameters

• Common name: rac-5.2ClO4
• Formula: C25 H54 Cl2 Cu2 N6 O8 S2
• Calculated formula: C25 H54 Cl2 Cu2 N6 O8 S2
• 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: 15.147 ± 0.003 Å
• b: 15.324 ± 0.003 Å
• c: 16.858 ± 0.003 Å
• α: 90°
• β: 106.492 ± 0.003°
• γ: 90°
• Cell volume: 3752 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No