Information card for entry 2207876

Structure parameters

• Chemical name: {6,6'-Dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)
• Formula: C19 H20 Co N2 O2
• Calculated formula: C19 H20 Co N2 O2
• SMILES: [Co]123[N](=Cc4c(c(ccc4)C)O2)CCC[N]1=Cc1c(c(ccc1)C)O3
• Title of publication: {6,6'-Dimethyl-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)
• Authors of publication: Chen, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m144 - m145
• a: 7.529 ± 0.001 Å
• b: 10.398 ± 0.002 Å
• c: 21.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: A 21 a m
• Hall space group symbol: A -2 2a
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes