Information card for entry 7702636

Structure parameters

• Formula: C18 H48 Br3 F6 P7 Se4 W3
• Calculated formula: C18 H48 Br3 F6.03 P7.005 Se4 W3
• 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: 21.0599 ± 0.0005 Å
• b: 21.0599 ± 0.0005 Å
• c: 21.0599 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9340.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No