Information card for entry 7011271

Structure parameters

• Formula: C12 H36 Cl11 N6 Nb2 P3 Si4
• Calculated formula: C12 H36 Cl11 N6 Nb2 P3 Si4
• SMILES: C[Si](C)(N1P(=[N]([Nb]21(=NP(=N[Nb]1([Cl]2)([N](=P(N1[Si](C)(C)C)(Cl)Cl)[Si](C)(C)C)(Cl)Cl)(Cl)Cl)(Cl)Cl)[Si](C)(C)C)(Cl)Cl)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: 26.3658 ± 0.0009 Å
• b: 10.4749 ± 0.0005 Å
• c: 16.1779 ± 0.0007 Å
• α: 90°
• β: 114.783 ± 0.002°
• γ: 90°
• Cell volume: 4056.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No