Information card for entry 7054437

Structure parameters

• Formula: C24 H38 Co2 N10 O8 S2
• Calculated formula: C24 H38 Co2 N10 O8 S2
• SMILES: c1cn(c([n]1[Co]123([n]4ccn(c4C)C)[O]4S(O1)(=[O][Co]14([n]4ccn(c4C)C)([n]4ccn(c4C)C)[O]2S(O1)(=[O]3)=O)=O)C)C.N#CC.N#CC
• Title of publication: Magnetic, electrochemical and optical properties of a sulfate-bridged Co(ii) imidazole dimer
• Authors of publication: Murphy, Michael J.; Usov, Pavel M.; Rizzuto, Felix J.; Kepert, Cameron J.; D'Alessandro, Deanna M.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 5856
• a: 10.9888 ± 0.0011 Å
• b: 8.6363 ± 0.0009 Å
• c: 17.4813 ± 0.0015 Å
• α: 90°
• β: 94.688 ± 0.004°
• γ: 90°
• Cell volume: 1653.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No