Information card for entry 2230777

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)cobalt(II) bis(trichloroacetate)
• Formula: C40 H24 Cl6 Co N6 O4
• Calculated formula: C40 H24 Cl6 Co N6 O4
• SMILES: c1ccc2c3[n]1[Co]14([n]5cccc6c5c5[n]4cccc5cc6)([n]4cccc5c4c4c(cc5)ccc[n]14)[n]1c3c(cc2)ccc1.[O-]C(=O)C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl
• Title of publication: Tris(1,10-phenanthroline)cobalt(II) bis(trichloroacetate)
• Authors of publication: Li, Li-Min; Li, Yu-Feng; Liu, Li; Zhang, Zeng-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m973
• a: 18.367 ± 0.004 Å
• b: 10.753 ± 0.002 Å
• c: 19.02 ± 0.004 Å
• α: 90°
• β: 100.94 ± 0.03°
• γ: 90°
• Cell volume: 3688.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes