Information card for entry 4346385

Structure parameters

• Formula: C66 H70 Br4 Cl5 Co2 N7 O8
• Calculated formula: C66 H70 Br4 Cl5 Co2 N7 O8
• SMILES: Brc1cc[n]2[Co]345(Oc6c(cc(cc6C(C)(C)C)C(C)(C)C)C=[N]4c4c([N]65[Co]57(Oc8c(cc(cc8C(C)(C)C)C(C)(C)C)C=[N]5c5c6ccc(c5)C)(OO3)[n]3ccc(Br)cc3c3[n]7ccc(Br)c3)ccc(c4)C)[n]3c(c2c1)cc(Br)cc3.Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl
• Title of publication: Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.
• Authors of publication: Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8744 - 8754
• a: 13.1787 ± 0.0003 Å
• b: 13.8609 ± 0.0003 Å
• c: 22.2351 ± 0.0003 Å
• α: 81.9458 ± 0.0015°
• β: 89.9831 ± 0.0016°
• γ: 71.562 ± 0.002°
• Cell volume: 3810.96 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No