Information card for entry 8102224

Structure parameters

• Chemical name: bis(μ~2~-thiocyanato)tetrakis(3,5-dimethyl-1-(thiocarbamoyl)pyrazole)- dinickel(II) dichloride ethanol disolvate
• Formula: C30 H48 Cl2 N14 Ni2 O2 S6
• Calculated formula: C30 H48 Cl2 N14 Ni2 O2 S6
• Title of publication: Crystal structure of bis(μ~2~-thiocyanato)tetrakis(3,5-dimethyl- 1-(thiocarbamoyl)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)~2~(C~6~H~6~N~3~S)~4~][Cl]~2~ · 2C~2~H~5~OH
• Authors of publication: Jacimovic, Zeljko K.; Radovic, Ana; Leovac, Vukadin M.; Tomic, Zoran D.; Radosavljevic Evans, Ivana
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 430 - 432
• a: 12.0407 ± 0.0007 Å
• b: 11.8861 ± 0.0006 Å
• c: 15.7389 ± 0.0009 Å
• α: 90°
• β: 93.904 ± 0.001°
• γ: 90°
• Cell volume: 2247.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No