Information card for entry 4070905

Structure parameters

• Formula: C31 H31 N4 P Zn
• Calculated formula: C31 H31 N4 P Zn
• SMILES: [Zn]12([n]3c(C=P(N2c2ccccc2)(c2ccccc2)c2ccccc2)cccc3n2[n]1c(cc2C)C)CC
• Title of publication: Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands
• Authors of publication: Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1626
• a: 9.056 ± 0.003 Å
• b: 11.133 ± 0.004 Å
• c: 14.071 ± 0.004 Å
• α: 78.193 ± 0.01°
• β: 82.371 ± 0.01°
• γ: 81.054 ± 0.009°
• Cell volume: 1364.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No