Information card for entry 7011272

Structure parameters

• Formula: C12 H36 Cl11 N6 Nb2 P3 Si4
• Calculated formula: C12 H36 Cl11 N6 Nb2 P3 Si4
• SMILES: [Nb]123(Cl)(Cl)(Cl)N([Si](C)(C)C)P(Cl)(Cl)=[N]1[Nb]1(Cl)(Cl)(N([Si](C)(C)C)P(Cl)(Cl)=[N]1[Si](C)(C)C)[N]3=P(Cl)(Cl)N2[Si](C)(C)C
• Title of publication: Synthesis and characterization of perhalogenated diazaphosphametalletidines containing transition metals from group 4 and 5
• Authors of publication: Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2173
• a: 9.1891 ± 0.0002 Å
• b: 24.4588 ± 0.0006 Å
• c: 18.0989 ± 0.0005 Å
• α: 90°
• β: 98.5 ± 0.03°
• γ: 90°
• Cell volume: 4023.1 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No