Information card for entry 7702554

Structure parameters

• Formula: C27.5 H38 B10 N O3 P W
• Calculated formula: C29.5 H44 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: 23.042 ± 0.003 Å
• b: 21.716 ± 0.003 Å
• c: 17.268 ± 0.003 Å
• α: 90°
• β: 129.571 ± 0.014°
• γ: 90°
• Cell volume: 6660 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No