Information card for entry 7010748

Structure parameters

• Formula: C34 H38 Cu2 F6 N5 O4 P
• Calculated formula: C34 H38 Cu2 F6 N5 O4 P
• SMILES: [Cu]1234Oc5ccccc5C=[N]3CCC3[O]1[Cu]15([O]=C(O2)C)[N](C3)(Cc2ccccc2)CC[N]1(Cc1[n]5cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 18.0761 ± 0.0002 Å
• b: 21.1395 ± 0.0002 Å
• c: 19.3919 ± 0.0002 Å
• α: 90°
• β: 97.9872 ± 0.0002°
• γ: 90°
• Cell volume: 7338.14 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No