Information card for entry 4336744

Structure parameters

• Formula: C40 H42 Cu2 I2 O2 P2 S2
• Calculated formula: C40 H42 Cu2 I2 O2 P2 S2
• SMILES: c1(ccccc1)[P](c1ccccc1)([Cu]1([I][Cu]([I]1)([O]=S(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]=S(C)C)c1ccccc1
• 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: 8.627 ± 0.003 Å
• b: 9.354 ± 0.003 Å
• c: 14.551 ± 0.004 Å
• α: 91.046 ± 0.003°
• β: 103.948 ± 0.003°
• γ: 116.074 ± 0.003°
• Cell volume: 1013.2 ± 0.6 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: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No