Information card for entry 2015968

Structure parameters

• Common name: cis-dichloro(phenanthrolinedione) trans-dipyridinecobalt(II) pyridine solvate
• Chemical name: <i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^N,N')-<i>trans</i>- dipyridinecobalt(II) pyridine disolvate
• Formula: C32 H26 Cl2 Co N6 O2
• Calculated formula: C32 H26 Cl2 Co N6 O2
• SMILES: [Co]1(Cl)(Cl)([n]2cccc3C(=O)C(=O)c4ccc[n]1c4c23)([n]1ccccc1)[n]1ccccc1.n1ccccc1.c1cnccc1
• Title of publication: Transformations of the chameleon ligand 1,10-phenanthroline-5,6-dione/diol: <i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-dipyridinecobalt(II) pyridine disolvate prepared from the diol
• Authors of publication: Cédric Desroches; Lars Öhrström
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m190 - m192
• a: 20.3809 ± 0.0008 Å
• b: 9.5957 ± 0.0003 Å
• c: 15.737 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077.67 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes