Information card for entry 7106996

Structure parameters

• Formula: C24 H43 B5 N Ta2
• Calculated formula: C24 H33 B5 N Ta2
• SMILES: [Ta]12345678([BH3]9[Ta]%10%11%12%13%14%15%16([BH3]1[BH2]2%10[B]3%11([BH2]49%12)c1[nH]ccc1)[c]1([c]%14([c]%15([c]%16([c]%131C)C)C)C)C)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C
• Title of publication: C-H Activation of Arenes and Heteroarenes by Tantalaborane Cluster
• Authors of publication: Shubhankar Kumar Bose; K. Geetharani; Sundargopal Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 11996 - 11998
• a: 8.5841 ± 0.0004 Å
• b: 10.1872 ± 0.0006 Å
• c: 17.2208 ± 0.001 Å
• α: 98.965 ± 0.005°
• β: 104.066 ± 0.005°
• γ: 106.012 ± 0.005°
• Cell volume: 1363.4 ± 0.15 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: 0.087
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No