Information card for entry 4336743

Structure parameters

• Formula: C40 H42 Br2 Cu2 O2 P2 S2
• Calculated formula: C40 H42 Br2 Cu2 O2 P2 S2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1([Br][Cu]([O]=S(C)C)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Br]1)[O]=S(C)C
• Title of publication: Photo- and Vapor-Controlled Luminescence of Rhombic Dicopper(I) Complexes Containing Dimethyl Sulfoxide
• Authors of publication: Atsushi Kobayashi; Kahori Komatsu; Hiroki Ohara; Waka Kamada; Yuko Chishina; Kiyoshi Tsuge; Ho-Chol Chang; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13188 - 13198
• a: 8.5094 ± 0.0009 Å
• b: 9.1692 ± 0.0011 Å
• c: 14.637 ± 0.002 Å
• α: 89.327 ± 0.007°
• β: 75.285 ± 0.006°
• γ: 63.713 ± 0.005°
• Cell volume: 983.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No