Information card for entry 7211760

Structure parameters

• Formula: C51 H54 Cu N2 O2 P3 S2
• Calculated formula: C51 H54 Cu N2 O2 P3 S2
• SMILES: [Cu]1([S]=P(OC(C)C)(OC(C)C)N=C(S1)Nc1c(cccc1C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 134
• a: 11.465 ± 0.0005 Å
• b: 14.3083 ± 0.0007 Å
• c: 17.0891 ± 0.0008 Å
• α: 109.818 ± 0.004°
• β: 90.221 ± 0.004°
• γ: 112.994 ± 0.004°
• Cell volume: 2397.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No