Information card for entry 7009965

Structure parameters

• Formula: C14 H38 B9 N6 Ta
• Calculated formula: C14 H38 B9 N6 Ta
• SMILES: [Ta]1234([CH]567[CH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671)(N=C(C)N(C)C)(N=C(C)N(C)C)N=C(C)N(C)C
• Title of publication: Insertion and cleavage reactions of [closo-3,1,2-Ta(NMe2)3(C2B9H11)] with nitriles, phenols and thiols; structural characterisation of N,N-dimethylamidinate ligands †
• Authors of publication: Broder, Charlotte K.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Malget, John M.; Wade, Ken
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3526
• a: 9.3136 ± 0.0005 Å
• b: 10.4888 ± 0.0006 Å
• c: 13.2061 ± 0.0007 Å
• α: 78.322 ± 0.001°
• β: 83.674 ± 0.001°
• γ: 75.013 ± 0.001°
• Cell volume: 1218.12 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No