Information card for entry 8102547

Structure parameters

• Chemical name: bis(2-Pyridin-2-yl-ethanone)two thiocyanation cobalt(II)‒2-nitro-phenylamine Co[(C~7~H~7~ON)~2~(SCN)~2~] C~6~H~6~N~2~O~2~
• Formula: C22 H20 Co N6 O4 S2
• Calculated formula: C22 H20 Co N6 O4 S2
• SMILES: [Co]12([n]3c(C(=[O]1)C)cccc3)([n]1c(C(=[O]2)C)cccc1)(N=C=S)N=C=S.Nc1c(N(=O)=O)cccc1
• Title of publication: Crystal structure of bis(2-pyridin-2-yl-ethanone)cobalt(II) dithiocyanate — 2-nitrophenylamine, Co(C7H7ON)2(SCN)2 · C6H6N2O2
• Authors of publication: Ya-Ning Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 635
• a: 9.0042 ± 0.0011 Å
• b: 11.7272 ± 0.0013 Å
• c: 13.8346 ± 0.0015 Å
• α: 95.303 ± 0.001°
• β: 108.603 ± 0.002°
• γ: 111.017 ± 0.002°
• Cell volume: 1256.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No