Information card for entry 8106464

Structure parameters

• Chemical name: cis-Bis(2,2'-bipyridine-κ^2^<i>N,N'</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)
• Formula: C22 H16 N6 Ni S2
• Calculated formula: C22 H16 N6 Ni S2
• SMILES: [Ni]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(N=C=S)N=C=S
• Title of publication: Crystal structure of cis-bis(2,2′-bipyridine-κ2 N,N′)bis(thiocyanato-κN)nickel(II), C22H16N6NiS2
• Authors of publication: Ha, Kwang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 151 - 152
• a: 7.2925 ± 0.0004 Å
• b: 8.9214 ± 0.0005 Å
• c: 17.7808 ± 0.0009 Å
• α: 90.484 ± 0.003°
• β: 98.965 ± 0.003°
• γ: 113.003 ± 0.003°
• Cell volume: 1048.75 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No