Information card for entry 2311339

Structure parameters

• Chemical name: Tetrakis(isonicotinamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)‒isonicotinamide‒ethanol (1/2/1)
• Formula: C40 H42 Co N14 O7 S2
• Calculated formula: C40 H42 Co N14 O7 S2
• Title of publication: Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 8
• Pages of publication: 1077 - 1080
• a: 9.1877 ± 0.0004 Å
• b: 13.6779 ± 0.0005 Å
• c: 20.3185 ± 0.0008 Å
• α: 104.027 ± 0.003°
• β: 97.256 ± 0.003°
• γ: 109.576 ± 0.003°
• Cell volume: 2273.13 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No