Information card for entry 7014449

Structure parameters

• Formula: C41 H53 Cl5 N Nb2 O2 P Si2
• Calculated formula: C41 H53 Cl5 N Nb2 O2 P Si2
• SMILES: [Nb]12345678([P](Cl)(c9ccccc9)c9ccccc9)(C#[N]c9c(cccc9C)C)([c]9([cH]1[cH]2[cH]3[cH]49)[Si](C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)[Si](C)(C)C.[Nb](Cl)(Cl)(Cl)(Cl)(=O)[O]1CCCC1
• 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: 12.025 ± 0.0018 Å
• b: 12.1588 ± 0.0018 Å
• c: 15.964 ± 0.002 Å
• α: 90.091 ± 0.002°
• β: 93.465 ± 0.002°
• γ: 90.778 ± 0.003°
• Cell volume: 2329.6 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No