Information card for entry 2234546

Structure parameters

• Chemical name: Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II)
• Formula: C20 H16 N14 Ni
• Calculated formula: C20 H16 N14 Ni
• SMILES: c1ccc[n](n1)[Ni]([n]1ccccn1)(N=C=NC#N)([n]1ccccn1)([n]1ccccn1)N=C=NC#N
• Title of publication: Bis(dicyanamido-κ<i>N</i>)tetrakis(pyridazine-κ<i>N</i>)nickel(II)
• 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: 5
• Pages of publication: m696
• a: 8.1796 ± 0.0012 Å
• b: 8.4125 ± 0.0012 Å
• c: 8.9643 ± 0.0011 Å
• α: 81.364 ± 0.016°
• β: 66.027 ± 0.015°
• γ: 84.879 ± 0.017°
• Cell volume: 556.97 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes