Information card for entry 7206974

Structure parameters

• Formula: C28 H25 N3 Ni O5
• Calculated formula: C28 H25 N3 Ni O5
• Title of publication: Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule
• Authors of publication: Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 951
• a: 28.262 ± 0.005 Å
• b: 9.1619 ± 0.0018 Å
• c: 20.511 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5311 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No