Information card for entry 7213830

Structure parameters

• Formula: C14 H20 N2 Ni O15 Sr
• Calculated formula: C14 H20 N2 Ni O15 Sr
• SMILES: c12ccc(c[n]2[Ni]2(OC1=O)([OH2])([n]1c(ccc(c1)C(=O)[O-])C(=O)O2)[OH2])C(=O)[O-].O.O.O.[Sr+2].O.O
• Title of publication: Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid
• Authors of publication: Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1091
• a: 18.324 ± 0.003 Å
• b: 13.794 ± 0.003 Å
• c: 8.7635 ± 0.0017 Å
• α: 90°
• β: 107.405 ± 0.003°
• γ: 90°
• Cell volume: 2113.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No