Information card for entry 7027629

Structure parameters

• Chemical name: tris(dimethylamido)-η^5^-2,3-dicarbaundecaborane(11) tantalum(V)
• Formula: C8 H29 B9 N3 Ta
• Calculated formula: C8 H29 B9 N3 Ta
• SMILES: [Ta]1234(N(C)C)(N(C)C)(N(C)C)[CH]567[CH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 †
• Authors of publication: Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3867
• a: 13.484 ± 0.001 Å
• b: 15.472 ± 0.001 Å
• c: 17.042 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3555.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.0621
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No