Information card for entry 2105291

Structure parameters

• Chemical name: bis (2,6-pyridinedicarboxylato)nickelate(II) trihydrate
• Formula: C14 H14 N2 Ni O11
• Calculated formula: C14 H14 N2 Ni O11
• Title of publication: Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II) trihydrate, Ni(Hpydc)~2~·3H~2~O
• Authors of publication: Sanotra, Sumit; Gupta, Rimpy; Sheikh, Haq Nawaz; Kalsotra, Bansi Lal; Gupta, Vivek K.; Rajnikant
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: 619 - 624
• a: 13.6825 ± 0.0003 Å
• b: 10.0465 ± 0.0002 Å
• c: 13.777 ± 0.0004 Å
• α: 90°
• β: 115.166 ± 0.003°
• γ: 90°
• Cell volume: 1714.04 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No