Information card for entry 8106463

Structure parameters

• Chemical name: cis-bis(2,2'-bipyrimidine-κ^2^N,N')bis(thiocyanato-κ<i>N</i>)nickel(II)
• Formula: C18 H12 N10 Ni S2
• Calculated formula: C18 H12 N10 Ni S2
• Title of publication: Crystal structure of cis-bis(2,2′-bipyrimidine-κ2N,N′)bis(thiocyanato-κN)nickel(II), C18H12N10NiS2
• 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: 147 - 148
• a: 12.1303 ± 0.0005 Å
• b: 12.1303 ± 0.0005 Å
• c: 28.7471 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4230 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No