Information card for entry 4311068

Structure parameters

• Common name: 03114
• Formula: C105 H144 Cu4 N8 S4
• Calculated formula: C100 H132 Cu4 N8 S4
• Title of publication: A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange
• Authors of publication: Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3335 - 3337
• a: 14.292 ± 0.003 Å
• b: 15.018 ± 0.003 Å
• c: 23.592 ± 0.005 Å
• α: 86.767 ± 0.003°
• β: 87.384 ± 0.003°
• γ: 85.894 ± 0.004°
• Cell volume: 5038.3 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No