Information card for entry 4346382

Structure parameters

• Formula: C66 H72 Cl2 F3 N7 O5 S Zn2
• Calculated formula: C66 H72 Cl2 F3 N7 O5 S Zn2
• SMILES: [Zn]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]1c1c([N]42[Zn]25(Oc6c(cc(cc6C(C)(C)C)C(C)(C)C)C=[N]2c2c4ccc(c2)C)[n]2ccccc2c2[n]5cccc2)ccc(c1)C)[n]1ccccc1c1[n]3cccc1.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• 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: 13.90318 ± 0.00012 Å
• b: 22.51761 ± 0.00016 Å
• c: 22.85172 ± 0.00015 Å
• α: 90°
• β: 100.112 ± 0.0008°
• γ: 90°
• Cell volume: 7042.97 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No