Information card for entry 7115628

Structure parameters

• Common name: [Cu12S6(dppt)4]*2C6H5CH3
• Formula: C130 H136 Cu12 P8 S6
• Calculated formula: C130 H136 Cu12 P8 S6
• Title of publication: Red-luminescent biphosphine stabilized 'Cu12S6' cluster molecules
• Authors of publication: Xiao-Xun Yang; Ibrahim Issac; Sergej Lebedkin; Michael Kuhn; Florian Weigend; Dieter Fensk; Olaf Fuhrac; Andreas Eichhofer
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11043
• a: 26.081 ± 0.004 Å
• b: 26.081 ± 0.004 Å
• c: 19.313 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13137 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No