Information card for entry 7011270

Structure parameters

• Formula: C6 H18 Cl6 N2 Nb P Si2
• Calculated formula: C6 H18 Cl6 N2 Nb P Si2
• SMILES: [Nb]1(Cl)(Cl)(Cl)(Cl)[N]([Si](C)(C)C)=P(Cl)(Cl)N1[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: 9.328 ± 0.0009 Å
• b: 8.765 ± 0.0008 Å
• c: 12.499 ± 0.0012 Å
• α: 90°
• β: 104.679 ± 0.004°
• γ: 90°
• Cell volume: 988.56 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No