Information card for entry 7014448

Structure parameters

• Formula: C29 H37 Cl6 Nb O P Si2 Ta
• Calculated formula: C29 H37 Cl6 Nb O P Si2 Ta
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Nb]12345678([PH](c9ccccc9)c9ccccc9)([cH]9[cH]5[cH]4[cH]6[c]79[Si](C)(C)C)([cH]4[cH]1[c]2([cH]3[cH]84)[Si](C)(C)C)C#[O]
• Title of publication: Lewis base character of the phosphorus atom in phosphanido-niobocene complexes. Synthesis of new early‒early homo- and heterobimetallic entities
• Authors of publication: Reguillo-Carmona, R.; Antiñolo, A.; García-Yuste, S.; López-Solera, I.; Otero, A.
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2622
• a: 10.515 ± 0.003 Å
• b: 12.939 ± 0.003 Å
• c: 13.888 ± 0.004 Å
• α: 90°
• β: 95.035 ± 0.006°
• γ: 90°
• Cell volume: 1882.2 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No