Information card for entry 7012464

Structure parameters

• Formula: C38 H56 Cl2 N2 Si4 Ta2
• Calculated formula: C38 H56 Cl2 N2 Si4 Ta2
• SMILES: N(=[Ta]12345678([cH]9[c]1([cH]2[cH]3[cH]49)[Si](C)(C)C)(Cl)[cH]1[c]5([cH]6[cH]7[cH]18)[Si](C)(C)C)c1ccc(N=[Ta]23456789([cH]%10[c]3([cH]4[cH]5[cH]2%10)[Si](C)(C)C)(Cl)[cH]2[c]6([cH]7[cH]8[cH]92)[Si](C)(C)C)cc1
• Title of publication: Synthesis and structural characterisation of new organo-diimido tantalum and niobium complexes
• Authors of publication: Antiñolo, Antonio; Dorado, Iván; Fajardo, Mariano; Garcés, Andrés; Kubicki, Marek M.; López-Mardomingo, Carmen; Otero, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 910
• a: 6.957 ± 0.0004 Å
• b: 26.464 ± 0.002 Å
• c: 11.688 ± 0.0007 Å
• α: 90°
• β: 97.408 ± 0.003°
• γ: 90°
• Cell volume: 2133.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1801
• Weighted residual factors for significantly intense reflections: 0.1762
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No