Information card for entry 2221778

Structure parameters

• Chemical name: Bis(μ-dithieno[3,2-b:2',3'-d]thiophene-2,6-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^6^)bis[bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dimethylformamide disolvate
• Formula: C74 H50 Co2 N10 O10 S6
• Calculated formula: C74 H50 Co2 N10 O10 S6
• SMILES: C1(=O)c2sc3c4c(cc(s4)C(=O)O[Co]45([n]6cccc7ccc8ccc[n]4c8c67)([n]4cccc6ccc7ccc[n]5c7c46)OC(=O)c4cc5c(c6c(cc(s6)C(=O)O[Co]67([n]8cccc9c8c8[n]6cccc8cc9)([n]6cccc8ccc9ccc[n]7c9c68)O1)s5)s4)sc3c2.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Bis(μ-dithieno[3,2-<i>b</i>:2',3'-<i>d</i>]thiophene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dimethylformamide disolvate
• Authors of publication: MacNeill, Christopher M.; Day, Cynthia S.; Noftle, Ronald E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m486
• a: 9.884 ± 0.003 Å
• b: 11.492 ± 0.003 Å
• c: 15.215 ± 0.004 Å
• α: 91.173 ± 0.003°
• β: 105.065 ± 0.003°
• γ: 93.057 ± 0.003°
• Cell volume: 1665.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes