Information card for entry 4065410

Structure parameters

• Formula: C30 H61 B10 N4 O Ta
• Calculated formula: C30 H61 B10 N4 O Ta
• SMILES: [Ta]1234567(N(C(=NC(C)C)C7)C(C)C)([N](=C(N1C(C)C)C)C(C)C)[C]1789[C]%10%11%12(C(C)(C)[c]%132[cH]6[cH]5[cH]4[cH]3%13)[BH]231[BH]14%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]431[BH]182[BH]9%107[BH]%11641.O1CCCC1
• Title of publication: Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand
• Authors of publication: Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5960
• a: 10.72858 ± 0.00019 Å
• b: 18.3278 ± 0.0004 Å
• c: 18.7448 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3685.81 ± 0.13 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No