Information card for entry 7010047

Structure parameters

• Chemical name: 2,2,2-tris(dimethylamido)-closo-2,1,7-tantalacarborane
• Formula: C8 H29 B9 N3 Ta
• Calculated formula: C8 H29 B9 N3 Ta
• Title of publication: First structural characterisation of a 2,1,12-MC2B9 metallacarborane, [2,2,2-(NMe2)3-closo-2,1,12-TaC2B9H11]. Trends in boron NMR shifts on replacing a {BH} vertex with a metal {MLn} vertex in icosahedral carboranes
• Authors of publication: Batsanov, Andrei S.; Eva, Pauline A.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martin, Aileen M.; Wade, Ken
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3519
• a: 10.538 ± 0.001 Å
• b: 12.001 ± 0.001 Å
• c: 14.136 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No