Information card for entry 1544686

Structure parameters

• Formula: C70 H53 Cl4 Co2 N5 O7
• Calculated formula: C70 H53 Cl4 Co2 N5 O7
• SMILES: [Co]123([O]([Co]45(Oc6cccc7c6[n]4c(cc7)/C=C/c4ccc(Cl)cc4)([O]1c1cccc4c1[n]5c(cc4)/C=C/c1ccc(Cl)cc1)[OH2])c1cccc4c1[n]2c(cc4)/C=C/c1ccc(Cl)cc1)(Oc1cccc2c1[n]3c(cc2)/C=C/c1ccc(Cl)cc1)[OH2].O.N#CC
• Title of publication: Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry.
• Authors of publication: Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 25 - 28
• a: 15.751 ± 0.001 Å
• b: 22.3712 ± 0.0009 Å
• c: 19.2423 ± 0.0011 Å
• α: 90°
• β: 109.938 ± 0.006°
• γ: 90°
• Cell volume: 6374 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1809
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.3284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No