Information card for entry 4346381

Structure parameters

• Formula: C67.39 H76.79 Cl2.79 Cu2 F3 N7 O6 S
• Calculated formula: C67.394 H76.788 Cl2.788 Cu2 F3 N7 O6 S
• 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: 13.69383 ± 0.00018 Å
• b: 24.2156 ± 0.0003 Å
• c: 21.4722 ± 0.0002 Å
• α: 90°
• β: 99.1436 ± 0.0012°
• γ: 90°
• Cell volume: 7029.8 ± 0.14 ų
• Cell temperature: 99.8 ± 0.4 K
• Ambient diffraction temperature: 99.8 ± 0.4 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: 0.0631
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No