Information card for entry 4085621

Structure parameters

• Formula: C34 H48 Cl2 N2 P2 S Si3 Zr
• Calculated formula: C34 H48 Cl2 N2 P2 S Si3 Zr
• SMILES: [Zr]12(C(P(c3ccccc3)(c3ccccc3)=[N]1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[S]2)(Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes
• Authors of publication: Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1238
• a: 10.0221 ± 0.0002 Å
• b: 10.187 ± 0.0002 Å
• c: 19.9255 ± 0.0003 Å
• α: 102.453 ± 0.001°
• β: 94.499 ± 0.001°
• γ: 94.908 ± 0.001°
• Cell volume: 1969.31 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No