Information card for entry 7115629

Structure parameters

• Common name: [Cu12S6(Ph2PC8H16PPh2)4]*C6H5CH3
• Formula: C152.5 H172 Cu12 P8 S6
• Calculated formula: C152.5 H172 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: 17.803 ± 0.004 Å
• b: 18.522 ± 0.004 Å
• c: 23.713 ± 0.005 Å
• α: 83.46 ± 0.03°
• β: 80.88 ± 0.03°
• γ: 71.93 ± 0.03°
• Cell volume: 7322 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No