Information card for entry 2011583

Structure parameters

• Formula: C50 H39 Cu N2 O2 P2 S2
• Calculated formula: C50 H39 Cu N2 O2 P2 S2
• SMILES: [Cu](Sc1oc2ccccc2n1)([S]=C1Oc2c(N1)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Benzoxazole-2-thiolato-<i>S</i>)(benzoxazole-2-thione-<i>S</i>)bis(triphenylphosphine)copper(I)
• Authors of publication: Nakahodo, T.; Horn, E.; Tiekink, E.R.T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1316 - 1318
• a: 12.499 ± 0.002 Å
• b: 13.173 ± 0.002 Å
• c: 14.615 ± 0.003 Å
• α: 85.16 ± 0.02°
• β: 79.05 ± 0.02°
• γ: 66.15 ± 0.02°
• Cell volume: 2160.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No