Information card for entry 7010751

Structure parameters

• Formula: C74 H92 Cu4 F12 N10 O10 P2
• Calculated formula: C74 H92 Cu4 F12 N10 O10 P2
• SMILES: c12ccccc1C=[N]1CC[C@H]([O]3[Cu]1(O2)[O]1[C@H](CC[N]2[Cu]31Oc1ccccc1C=2)CC[N]1(Cc2ccccc2)CC[N]23Cc4[n](cccc4)[Cu]13([n]1c(C2)cccc1)OC(=O)C)CC[N]1(Cc2ccccc2)CC[N]23Cc4[n](cccc4)[Cu]13([n]1c(C2)cccc1)OC(=O)C.[P](F)(F)(F)(F)(F)[F-].OCC.[P](F)(F)(F)(F)(F)[F-].OCC
• Title of publication: Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges
• Authors of publication: Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3478
• a: 10.3158 ± 0.0002 Å
• b: 12.0891 ± 0.0002 Å
• c: 17.6124 ± 0.0002 Å
• α: 74.0125 ± 0.0002°
• β: 81.8911 ± 0.0005°
• γ: 71.7472 ± 0.0007°
• Cell volume: 2001.61 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0797
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.618
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No