Information card for entry 4318876

Structure parameters

• Formula: C38 H52 Cl2 N2 P4 Si2 Zr
• Calculated formula: C38 H52 Cl2 N2 P4 Si2 Zr
• SMILES: [Zr]123(Cl)(Cl)[N](=P([C@]42P([C@@H]([C@]3(P(=[N]1[Si](C)(C)C)(C)C)P([C@@H]4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C)C)[Si](C)(C)C.[Zr]123(Cl)(Cl)[N](=P([C@@]42P([C@H]([C@@]3(P(=[N]1[Si](C)(C)C)(C)C)P([C@H]4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C)C)[Si](C)(C)C
• Title of publication: Coupling of Coordinated 2-Iminophosphorano-1-phosphaallyl Leading to Bridged Iminophosphoranato Complexes of Zirconium and Hafnium
• Authors of publication: Zhong-Xia Wang; Ye-Xin Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5934 - 5936
• a: 13.072 ± 0.003 Å
• b: 16.424 ± 0.004 Å
• c: 40.458 ± 0.01 Å
• α: 90°
• β: 92.04 ± 0.004°
• γ: 90°
• Cell volume: 8681 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.199
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No