Information card for entry 7702551

Structure parameters

• Formula: C31 H34 B10 Mo N O3 P
• Calculated formula: C31 H34 B10 Mo N O3 P
• 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: 8.5591 ± 0.0014 Å
• b: 11.8898 ± 0.0012 Å
• c: 18.4841 ± 0.0016 Å
• α: 104.286 ± 0.009°
• β: 97.586 ± 0.012°
• γ: 104.489 ± 0.011°
• Cell volume: 1726.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No