Information card for entry 2020309

Structure parameters

• Chemical name: Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Formula: C24 H16 Cl2 Co N4
• Calculated formula: C24 H16 Cl2 Co N4
• SMILES: [Co]12(Cl)(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization
• Authors of publication: Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 6 - 13
• a: 10.2035 ± 0.0011 Å
• b: 16.6206 ± 0.0016 Å
• c: 14.4854 ± 0.0011 Å
• α: 90°
• β: 122.76 ± 0.005°
• γ: 90°
• Cell volume: 2065.8 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes