Information card for entry 8107428

Structure parameters

• Chemical name: <i>trans</i>-tetrakis(3-phenylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>) nickel(II)
• Formula: C46 H36 N6 Ni S2
• Calculated formula: C46 H36 N6 Ni S2
• Title of publication: Crystal structure of trans-tetrakis(3-phenylpyridine-κN)bis(thiocyanato-κN)nickel(II), C46H36N6NiS2
• Authors of publication: Ha, Kwang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 319 - 321
• a: 9.1007 ± 0.001 Å
• b: 9.8108 ± 0.001 Å
• c: 11.8638 ± 0.0012 Å
• α: 107.377 ± 0.003°
• β: 107.333 ± 0.003°
• γ: 91.254 ± 0.004°
• Cell volume: 957.84 ± 0.18 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: 0.0265
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No