Information card for entry 4505478

Structure parameters

• Formula: C28 H28 N2 Ni2 O14
• Calculated formula: C28 H28 N2 Ni2 O14
• SMILES: c1cc(cc[n]1[Ni]12(OC(=O)C[O]2c2c(C(=O)O1)cccc2)([OH2])[OH2])c1cc[n](cc1)[Ni]12(OC(=O)C[O]2c2c(cccc2)C(=O)O1)([OH2])[OH2]
• Title of publication: Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid
• Authors of publication: Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1201
• a: 6.587 ± 0.0013 Å
• b: 9.866 ± 0.002 Å
• c: 11.756 ± 0.002 Å
• α: 97.88 ± 0.03°
• β: 105.16 ± 0.03°
• γ: 102.98 ± 0.03°
• Cell volume: 702.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No