Information card for entry 2205601

Structure parameters

• Chemical name: Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocobalt(II)
• Formula: C34 H48 Co N6 O2 S2
• Calculated formula: C34 H48 Co N6 O2 S2
• SMILES: C1c2c(cccc2)O[Co]2([N]=1CCC[NH2+]C1CCCCC1)([N](=Cc1c(cccc1)O2)CCC[NH2+]C1CCCCC1)(N=C=S)N=C=S
• Title of publication: Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocobalt(II)
• Authors of publication: Yue, Guo-Ren; Shi, Yu-Zhen; Lin, Min; Feng, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m720 - m721
• a: 10.912 ± 0.007 Å
• b: 7.797 ± 0.005 Å
• c: 20.777 ± 0.013 Å
• α: 90°
• β: 96.899 ± 0.013°
• γ: 90°
• Cell volume: 1754.9 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes