Information card for entry 8106546

Structure parameters

• Formula: C44 H32 Cu I O P2
• Calculated formula: C44 H32 Cu I O P2
• SMILES: [Cu]1(I)[O]=P(c2c(c3c([P]1(c1ccccc1)c1ccccc1)ccc1c3cccc1)c1c(cc2)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (μ2-[2,2′-bis(diphenylphosphino)-1,1′-binaphthalene oxide-κ2 O,P])-iodido copper(I), C44H32CuIOP2
• Authors of publication: Wang, Ying-Feng; Li, Si-Fan; Lin, Sen; Cui, Yang-Zhe; Jin, Qiong-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 391 - 393
• a: 17.1995 ± 0.0014 Å
• b: 11.4175 ± 0.0009 Å
• c: 19.1704 ± 0.0017 Å
• α: 90°
• β: 104.263 ± 0.002°
• γ: 90°
• Cell volume: 3648.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No