Information card for entry 2235661

Structure parameters

• Chemical name: Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate
• Formula: C26 H24 N14 Ni Se2
• Calculated formula: C26 H24 N14 Ni Se2
• SMILES: [Ni](N=C=[Se])(N=C=[Se])([n]1ncccc1)([n]1ncccc1)([n]1ncccc1)[n]1ncccc1.n1ncccc1.n1ncccc1
• Title of publication: Tetrakis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate
• Authors of publication: Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m969
• a: 11.2923 ± 0.0015 Å
• b: 12.0868 ± 0.0014 Å
• c: 12.822 ± 0.0015 Å
• α: 62.324 ± 0.009°
• β: 88.427 ± 0.01°
• γ: 88.512 ± 0.01°
• Cell volume: 1549.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes