Information card for entry 7222259

Structure parameters

• Formula: C22 H27 Br N4 Ni O5
• Calculated formula: C22 H27 Br N4 Ni O5
• Title of publication: Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties
• Authors of publication: Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.1506 ± 0.0011 Å
• b: 16.0135 ± 0.0016 Å
• c: 16.0539 ± 0.0012 Å
• α: 90°
• β: 124.571 ± 0.005°
• γ: 90°
• Cell volume: 2360.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No