Information card for entry 7010750

Structure parameters

• Formula: C66 H80 Cu4 F24 N14 O6 P4
• Calculated formula: C66 H80 Cu4 F24 N14 O6 P4
• SMILES: C1c2n(cc[n]2[Cu]234[N]=1CC[C@H](CC[N]1(CC[N]56[Cu]1([n]1ccccc1C6)([n]1c(cccc1)C5)[O]=C(O3)C)Cc1ccccc1)[O]4[Cu]134[O]2[C@@H](CC[N]1=Cc1n(cc[n]31)C)CC[N]1(CC[N]23Cc5[n](cccc5)[Cu]13([n]1c(C2)cccc1)[O]=C(O4)C)Cc1ccccc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[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: 11.5418 ± 0.0006 Å
• b: 13.7097 ± 0.0007 Å
• c: 14.0734 ± 0.0008 Å
• α: 69.5232 ± 0.0011°
• β: 83.0061 ± 0.0013°
• γ: 77.545 ± 0.0011°
• Cell volume: 2034.48 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No