Information card for entry 7011269

Structure parameters

• Formula: C10 H26 Cl5 N2 O P Si2 Zr
• Calculated formula: C10 H26 Cl5 N2 O P Si2 Zr
• SMILES: [Zr]1(Cl)(Cl)(Cl)(N([Si](C)(C)C)P(Cl)(Cl)=[N]1[Si](C)(C)C)[O]1CCCC1
• 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: 10.1372 ± 0.0004 Å
• b: 15.1405 ± 0.0008 Å
• c: 15.1927 ± 0.0008 Å
• α: 90°
• β: 104.642 ± 0.003°
• γ: 90°
• Cell volume: 2256.08 ± 0.19 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 8
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No