Information card for entry 4085619

Structure parameters

• Formula: C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2
• Calculated formula: C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2
• SMILES: C12=P(c3ccccc3)(c3ccccc3)N([Si](C)(C)C)[Zr]34(C(P(c5ccccc5)(c5ccccc5)=[S]4)=P(c4ccccc4)(c4ccccc4)N([Si](C)(C)C)[Zr]2(N(C)C)(O3)[S]=P1(c1ccccc1)c1ccccc1)N(C)C.CCOCC.Cc1ccccc1
• 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: 12.6988 ± 0.0005 Å
• b: 17.7746 ± 0.0007 Å
• c: 14.4923 ± 0.0006 Å
• α: 90°
• β: 92.501 ± 0.002°
• γ: 90°
• Cell volume: 3268 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No