Information card for entry 4328702

Structure parameters

• Formula: C25 H7 Co2 F24 N4 O8 S2
• Calculated formula: C25 H7 Co2 F24 N4 O8 S2
• SMILES: c1[n]2[Co]34([N]5=C6c2[n](cc1)[Co]12(N6SS5)(OC(=CC(C(F)(F)F)=[O]1)C(F)(F)F)[O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)[O]=C(C=C(C(F)(F)F)O4)C(F)(F)F
• Title of publication: Metal Complexes of Bridging Neutral Radical Ligands: pymDTDA and pymDSDA
• Authors of publication: Jian Wu; Daniel J. MacDonald; Rodolphe Clérac; Ie-Rang Jeon; Michael Jennings; Alan J. Lough; James Britten; Craig Robertson; Paul A. Dube; Kathryn E. Preuss
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3827 - 3839
• a: 21.358 ± 0.002 Å
• b: 16.112 ± 0.002 Å
• c: 13.0378 ± 0.0014 Å
• α: 90°
• β: 124.763 ± 0.005°
• γ: 90°
• Cell volume: 3685.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No