Information card for entry 2203285

Structure parameters

• Chemical name: m-Terephthalato-bis[chloro(1,10-phenanthroline)cobalt(II)]
• Formula: C32 H20 Cl2 Co2 N4 O4
• Calculated formula: C32 H20 Cl2 Co2 N4 O4
• SMILES: c12ccc[n]3c1c1c(ccc[n]1[Co]3(OC(=O)c1ccc(C(=O)O[Co]3([n]4cccc5ccc6ccc[n]3c6c45)Cl)cc1)Cl)cc2
• Title of publication: μ-Terephthalato-bis[chloro(1,10-phenanthroline)cobalt(II)]
• Authors of publication: Hong-Ping Xiao; Mao-Lin Hu; Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m336 - m337
• a: 7.502 ± 0.0004 Å
• b: 14.6261 ± 0.0007 Å
• c: 12.4567 ± 0.0006 Å
• α: 90°
• β: 96.295 ± 0.002°
• γ: 90°
• Cell volume: 1358.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes