Information card for entry 2225414

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cobalt(II) propane-1,3-diol solvate
• Formula: C27 H24 Co N4 O6 S
• Calculated formula: C27 H24 Co N4 O6 S
• SMILES: c1ccc2ccc3c4[n](ccc3)[Co]35([n]1c24)(OS(=O)(=O)O5)[n]1cccc2ccc4ccc[n]3c4c12.OCCCO
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) propane-1,3-diol solvate
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m247
• a: 18.285 ± 0.004 Å
• b: 12.422 ± 0.003 Å
• c: 13.211 ± 0.003 Å
• α: 90°
• β: 121.82 ± 0.03°
• γ: 90°
• Cell volume: 2549.7 ± 1.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes