Information card for entry 4315923

Structure parameters

• Formula: C2 Br31.182 Cl36.8 W30
• Calculated formula: C2 Br31.182 Cl36.8 W30
• Title of publication: The Trigonal Prismatic Cluster Compound W6CCl15 and a Carambolage of Tungsten Clusters in the Structure of the Heteroleptic Cluster Compound W30C2(Cl,Br)68
• Authors of publication: Markus Ströbele; H.-Jürgen Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5986 - 5991
• a: 12.003 ± 0.002 Å
• b: 14.862 ± 0.003 Å
• c: 15.792 ± 0.003 Å
• α: 88.75 ± 0.02°
• β: 68.85 ± 0.02°
• γ: 71.19 ± 0.02°
• Cell volume: 2472.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No