Information card for entry 4311066

Structure parameters

• Common name: 03199
• Formula: C69 H93 Cu2 N5 S2
• Calculated formula: C62 H78 Cu2 N4 S2
• SMILES: c12ccccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Cu]1(N2c2c(C(C)C)cccc2C(C)C)[S]2[S]1[Cu]12N(c2ccccc2C=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 14.379 ± 0.005 Å
• b: 24.551 ± 0.008 Å
• c: 9.36 ± 0.003 Å
• α: 90°
• β: 102 ± 0.006°
• γ: 90°
• Cell volume: 3232.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1469
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No