Information card for entry 7026902

Structure parameters

• Formula: C36 H80 Cu4 N8 O8 P4 S8
• Calculated formula: C36 H80 Cu4 N8 O8 P4 S8
• SMILES: [Cu]12[S](C(=NP(=[S]1)(OC(C)C)OC(C)C)N(C)C)[Cu]1[S](C(=NP(=[S]1)(OC(C)C)OC(C)C)N(C)C)[Cu]1[S]=P(N=C([S]1[Cu]1[S]=P(N=C([S]12)N(C)C)(OC(C)C)OC(C)C)N(C)C)(OC(C)C)OC(C)C
• Title of publication: Polynuclear and mixed-ligand mononuclear Cu(I) complexes with N-thiophosphorylated thioureas and 1,10-phenanthroline or PPh3.
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Pape, Tania; Hahn, F. Ekkehardt; Verizhnikov, Maxim L.; Bashirov, Airat R.; Klein, Axel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11577 - 11586
• a: 14.6549 ± 0.0009 Å
• b: 14.8054 ± 0.0008 Å
• c: 28.178 ± 0.002 Å
• α: 90°
• β: 95.782 ± 0.005°
• γ: 90°
• Cell volume: 6082.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No