Information card for entry 7702638

Structure parameters

• Formula: C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4
• Calculated formula: C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4
• Title of publication: Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†
• Authors of publication: Llusar, Rosa; Uriel, Santiago; Vicent, Cristian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2813
• a: 12.799 ± 0.0005 Å
• b: 23.8115 ± 0.0009 Å
• c: 16.5128 ± 0.0006 Å
• α: 90°
• β: 90.781 ± 0.001°
• γ: 90°
• Cell volume: 5032 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No