Information card for entry 7702555

Structure parameters

• Formula: C27 H34 B10 N O3 P W
• Calculated formula: C27 H34 B10 N O3 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: 9.679 ± 0.002 Å
• b: 18.962 ± 0.004 Å
• c: 18.669 ± 0.004 Å
• α: 90°
• β: 99.23 ± 0.03°
• γ: 90°
• Cell volume: 3382 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No