Information card for entry 2007354

Structure parameters

• Formula: C24 H32 Cl2 Co N4 O6
• Calculated formula: C24 H32 Cl2 Co N4 O6
• SMILES: c1(=O)cccc(C)[nH]1.Cl[Co]([O]=c1cccc(C)[nH]1)([O]=c1cccc(C)[nH]1)([OH2])([OH2])Cl.O=c1cccc(C)[nH]1
• Title of publication: <i>trans</i>-Diaquadichlorobis(6-methyl-2-pyridone-<i>O</i>)cobalt(II) Bis(6-methyl-2-pyridone) Solvate
• Authors of publication: Buchanan, Colin; Parsons, Simon; Winpenny, Richard E.P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 762 - 764
• a: 7.7418 ± 0.0006 Å
• b: 20.242 ± 0.003 Å
• c: 9.4443 ± 0.0007 Å
• α: 90°
• β: 109.561 ± 0.006°
• γ: 90°
• Cell volume: 1394.6 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0684
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No