Information card for entry 4065409

Structure parameters

• Formula: C38 H69 B10 N4 Ta
• Calculated formula: C38 H69 B10 N4 Ta
• SMILES: [Ta]1234567(N(C(=NC8CCCCC8)C7)C7CCCCC7)([N](C7CCCCC7)=C(N1C1CCCCC1)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
• 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: 10.0569 ± 0.0003 Å
• b: 12.5761 ± 0.0004 Å
• c: 17.6838 ± 0.0005 Å
• α: 73.0636 ± 0.001°
• β: 84.173 ± 0.001°
• γ: 79.8577 ± 0.001°
• Cell volume: 2103.15 ± 0.11 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.047
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No