Information card for entry 2239498

Structure parameters

• Chemical name: Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate
• Formula: C20 H22 Cl N5 Ni O6
• Calculated formula: C20 H22 Cl N5 Ni O6
• SMILES: [Ni]12(Cl)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O=N(=O)[O-].O.O.O
• Title of publication: Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate
• Authors of publication: Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Setifi, Zouaoui; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m190 - m191
• a: 8.2341 ± 0.0002 Å
• b: 21.192 ± 0.0005 Å
• c: 13.1284 ± 0.0004 Å
• α: 90°
• β: 99.722 ± 0.001°
• γ: 90°
• Cell volume: 2257.97 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes