Information card for entry 8105614

Structure parameters

• Formula: C22 H25 Br2 Cl Co N2 O4
• Calculated formula: C22 H26 Br2 Cl Co N2 O4
• SMILES: Brc1c2c(ccc1)C=[N]1[Co]3(O2)(Oc2c(Br)cccc2C=[N]3[C@@H]2[C@@H]1CCCC2)([OH]C)[OH]C.[Cl-].Brc1c2c(ccc1)C=[N]1[Co]3(O2)(Oc2c(Br)cccc2C=[N]3[C@H]2[C@H]1CCCC2)([OH]C)[OH]C.[Cl-]
• Title of publication: Crystal structure of rac-trans-6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromophenolato-κ4 N,N′,O,O′)-bis(methanol)cobalt(III) chloride, C22H25Br2Co8N2O4Cl
• Authors of publication: Wu, Qiong; Zi, Qiaoli; Li, Jindong; Li, Yajuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 269 - 270
• a: 7.8246 ± 0.0013 Å
• b: 23.695 ± 0.004 Å
• c: 13.225 ± 0.002 Å
• α: 90°
• β: 95.987 ± 0.017°
• γ: 90°
• Cell volume: 2438.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.2142
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No