Information card for entry 2208955

Structure parameters

• Chemical name: Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}cobalt(II) tetrahydrate
• Formula: C40 H58 Co N4 O6
• Calculated formula: C40 H56 Co N4 O5
• SMILES: c12ccc3ccccc3c2C=[N]2[Co]34([NH](C5CCCCC5)CCC2)(O1)[N](=Cc1c(ccc2ccccc12)O4)CCC[NH]3C1CCCCC1.O.O.O
• Title of publication: Bis{1-[3-(cyclohexylamino)propyliminomethyl]naphth-2-olato}cobalt(II) tetrahydrate
• Authors of publication: Zhong-Lu You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1162 - m1163
• a: 21.192 ± 0.004 Å
• b: 9.115 ± 0.002 Å
• c: 22.426 ± 0.005 Å
• α: 90°
• β: 116.939 ± 0.004°
• γ: 90°
• Cell volume: 3861.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes