Information card for entry 7236285

Structure parameters

• Formula: C13 H19 N Ni O10
• Calculated formula: C13 H19 N Ni O10
• Title of publication: Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties
• Authors of publication: Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 7217
• a: 15.569 ± 0.003 Å
• b: 7.7545 ± 0.0016 Å
• c: 13.712 ± 0.003 Å
• α: 90°
• β: 99.11 ± 0.03°
• γ: 90°
• Cell volume: 1634.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No