Information card for entry 7026289

Structure parameters

• Formula: C40 H56 Cl4 N2 P2 Zn2
• Calculated formula: C40 H56 Cl4 N2 P2 Zn2
• SMILES: C(C)(C)[P](c1ccccc1Nc1c(C)cccc1C)([Zn]1([Cl][Zn]([P](C(C)C)(C(C)C)c2ccccc2Nc2c(C)cccc2C)([Cl]1)Cl)Cl)C(C)C
• Title of publication: Amido phosphine complexes of zinc: synthesis, structure, and catalytic ring-opening polymerization of epsilon-caprolactone.
• Authors of publication: Liang, Lan-Chang; Lee, Wei-Ying; Tsai, Tzung-Ling; Hsu, Yu-Lin; Lee, Ting-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8748 - 8758
• a: 9.2599 ± 0.0004 Å
• b: 13.7189 ± 0.0007 Å
• c: 17.0867 ± 0.0009 Å
• α: 90°
• β: 90.465 ± 0.002°
• γ: 90°
• Cell volume: 2170.55 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1543
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No