Information card for entry 2234950

Structure parameters

• Chemical name: Tetrakis(pyridazine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) pyridazine disolvate
• Formula: C26 H24 N14 Ni S2
• Calculated formula: C26 H24 N14 Ni S2
• SMILES: [Ni](N=C=S)(N=C=S)([n]1ncccc1)([n]1ncccc1)([n]1ncccc1)[n]1ncccc1.n1ncccc1.n1ncccc1
• Title of publication: Tetrakis(pyridazine-κ<i>N</i>)bis(thiocyanato-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: 6
• Pages of publication: m793
• a: 11.2111 ± 0.0009 Å
• b: 12.033 ± 0.001 Å
• c: 12.5409 ± 0.001 Å
• α: 62.287 ± 0.009°
• β: 88.983 ± 0.01°
• γ: 88.949 ± 0.01°
• Cell volume: 1497.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes