Information card for entry 8106799

Structure parameters

• Formula: C34 H26 N4 Ni O6
• Calculated formula: C34 H26 N4 Ni O6
• Title of publication: Crystal structure of poly[(μ 2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ 2 N:N′)-(μ 2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ 4 O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni
• Authors of publication: Yan, Yongnian; Qi, Yanjuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 109 - 111
• a: 11.4709 ± 0.0019 Å
• b: 13.328 ± 0.002 Å
• c: 20.062 ± 0.003 Å
• α: 90°
• β: 94.305 ± 0.003°
• γ: 90°
• Cell volume: 3058.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No