Information card for entry 7216787

Structure parameters

• Formula: C14 H14 Cl2 N2 Ni O4
• Calculated formula: C14 H14 Cl2 N2 Ni O4
• SMILES: C(=O)(c1c[nH+]cc(c1)C)O[Ni](Cl)(OC(=O)c1c[nH+]cc(c1)C)Cl
• Title of publication: Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect
• Authors of publication: Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6433
• a: 13.7216 ± 0.0012 Å
• b: 7.2942 ± 0.0006 Å
• c: 16.2528 ± 0.0014 Å
• α: 90°
• β: 92.989 ± 0.001°
• γ: 90°
• Cell volume: 1624.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No