Information card for entry 4020014

Structure parameters

• Formula: C12 H36 Cl Cu8 F6 O12 P7 S12
• Calculated formula: C12 H36 Cl Cu8 F6 O12 P7 S12
• Title of publication: Organosoluble Copper Clusters as Precatalysts for Carbon-Heteroelement Bond-Forming Reactions: Microwave and Conventional Heating
• Authors of publication: Gerald F. Manbeck; Adam J. Lipman; Robert A. Stockland, Jr.; Adrienne L. Freidl; Amy F. Hasler; Joshua J. Stone; Ilia A. Guzei
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 244 - 250
• a: 16.6111 ± 0.0004 Å
• b: 16.6111 ± 0.0004 Å
• c: 14.6749 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3506.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No