Information card for entry 7009968

Structure parameters

• Formula: C26 H38 B9 O3 Ta
• Calculated formula: C26 H38 B9 O3 Ta
• SMILES: [Ta]1234([CH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%11%17%12[BH]59%13[BH]47%17[BH]3%16%11[BH]2%158[CH]16%10%14)(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)Oc1c(cccc1C)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: 18.732 ± 0.003 Å
• b: 19.92 ± 0.003 Å
• c: 15.986 ± 0.003 Å
• α: 90°
• β: 95.108 ± 0.004°
• γ: 90°
• Cell volume: 5941.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No