Information card for entry 4318878

Structure parameters

• Formula: C50 H80 Cl2 N2 P4 Si4 Zr
• Calculated formula: C50 H80 Cl2 N2 P4 Si4 Zr
• SMILES: [Zr]12(Cl)(Cl)([N](=P(C(=C([Si](C)(C)C(C)(C)C)c3ccccc3)P1c1ccccc1)(C)C)[Si](C)(C)C)[N](=P(C(=C([Si](C)(C)C(C)(C)C)c1ccccc1)P2c1ccccc1)(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: 11.6893 ± 0.0017 Å
• b: 21.514 ± 0.003 Å
• c: 26.308 ± 0.004 Å
• α: 90°
• β: 92.633 ± 0.002°
• γ: 90°
• Cell volume: 6609 ± 1.7 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: 0.113
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No