Information card for entry 4506495

Structure parameters

• Formula: C31 H28 N4 Ni O6
• Calculated formula: C31 H28 N4 Ni O6
• Title of publication: Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands
• Authors of publication: Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4060
• a: 7.188 ± 0.004 Å
• b: 22.296 ± 0.0012 Å
• c: 17.693 ± 0.0013 Å
• α: 90°
• β: 99.137 ± 0.006°
• γ: 90°
• Cell volume: 2799.6 ± 1.6 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: 0.097
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No