Information card for entry 7009967

Structure parameters

• Formula: C22 H35 B9 Cl5 F2 N4 Ta
• Calculated formula: C22 H35 B9 Cl5 F2 N4 Ta
• SMILES: [Ta]1234(Cl)([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)(N=C(c1ccc(F)cc1)N(C)C)N=C(c1ccc(F)cc1)N(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 10.122 ± 0.002 Å
• b: 12.074 ± 0.002 Å
• c: 15.206 ± 0.003 Å
• α: 90.21 ± 0.01°
• β: 105.49 ± 0.01°
• γ: 104.14 ± 0.01°
• Cell volume: 1731.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No