Information card for entry 7207259

Structure parameters

• Formula: C48 H72 Cu3 N6 O12 P3 S6
• Calculated formula: C48 H72 Cu3 N6 O12 P3 S6
• Title of publication: Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)
• Authors of publication: Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 774
• a: 11.8107 ± 0.0004 Å
• b: 19.7508 ± 0.0005 Å
• c: 27.3802 ± 0.001 Å
• α: 90°
• β: 90.034 ± 0.003°
• γ: 90°
• Cell volume: 6387 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No