Information card for entry 7702553

Structure parameters

• Formula: C27 H37 B10 O4 P W
• Calculated formula: C27 H37 B10 O4 P W
• Title of publication: Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡
• Authors of publication: Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1846
• a: 11.916 ± 0.002 Å
• b: 13.606 ± 0.002 Å
• c: 20.455 ± 0.002 Å
• α: 90°
• β: 92.272 ± 0.01°
• γ: 90°
• Cell volume: 3313.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No