Information card for entry 2108099

Structure parameters

• Chemical name: [Ni(pydcH)(pydc)](H3O)(H2O)2]
• Formula: C14 H12 N2 Ni O11
• Calculated formula: C14 H12 N2 Ni O11.001
• Title of publication: An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
• Authors of publication: Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 413 - 418
• a: 13.6716 ± 0.0008 Å
• b: 10.0554 ± 0.0006 Å
• c: 13.7813 ± 0.0008 Å
• α: 90°
• β: 115.185 ± 0.003°
• γ: 90°
• Cell volume: 1714.46 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes