Information card for entry 4324633

Structure parameters

• Formula: C41 H49 N5 Ni O3
• Calculated formula: C41 H49 N5 Ni O3
• SMILES: [Ni]123Oc4c(cc(cc4C=[N]3[C@@H]3[C@@H]([N]2=Cc2c(c(cc(c2)c2ccncc2)C(C)(C)C)O1)CCCC3)c1ccncc1)C(C)(C)C.N(C=O)(C)C
• Title of publication: Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation
• Authors of publication: Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2191 - 2198
• a: 9.789 ± 0.003 Å
• b: 24.528 ± 0.008 Å
• c: 16.262 ± 0.005 Å
• α: 90°
• β: 106.721 ± 0.005°
• γ: 90°
• Cell volume: 3739 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No