Information card for entry 1560405

Structure parameters

• Formula: C12 H18 N4 Ni O12 S
• Calculated formula: C12 H18 N4 Ni O12 S
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])[n]1cccc(c1)NC(=O)C(=O)Nc1ccc[n](c1)[Ni]([OH2])([OH2])([OH2])([OH2])[n]1cccc(c1)NC(=O)C(=O)Nc1cccnc1.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O.O.O.O
• Title of publication: Anion-dependent formation of four coordination polymers based on N,N′-di(3-pyridine) oxamide (DPOM): Crystal structures and luminescence
• Authors of publication: Deng, Ji-Hua; Wen, Ya-Qiong; Luo, Xu-Zhong; Zhong, Di-Chang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 231 - 237
• a: 9.5816 ± 0.0005 Å
• b: 11.9929 ± 0.0007 Å
• c: 16.8649 ± 0.0009 Å
• α: 90°
• β: 99.917 ± 0.002°
• γ: 90°
• Cell volume: 1909.01 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No