Information card for entry 7010749

Structure parameters

• Formula: C66 H75 Cu4 F18 N10 O7 P3
• Calculated formula: C66 H73 Cu4 F18 N10 O7 P3
• SMILES: [Cu]1234[O]5[Cu]678[N](=Cc9c([O]7[Cu]7%106([N](=Cc6c([O]7)cccc6)C[C@H]6[O]%10[Cu]7%10%11[N](CC6)(Cc6ccccc6)CC[N]7(Cc6[n]%10cccc6)Cc6[n]%11cccc6)[O]=C(O8)C)cccc9)C[C@@H]5CC[N]1(Cc1ccccc1)CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.[Cu]1234[O]5[Cu]678[N](=Cc9c([O]7[Cu]7%106([N](=Cc6c([O]7)cccc6)C[C@@H]6[O]%10[Cu]7%10%11[N](CC6)(Cc6ccccc6)CC[N]7(Cc6[n]%10cccc6)Cc6[n]%11cccc6)[O]=C(O8)C)cccc9)C[C@H]5CC[N]1(Cc1ccccc1)CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• 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: 11.7811 ± 0.0002 Å
• b: 16.6703 ± 0.0003 Å
• c: 19.1074 ± 0.0002 Å
• α: 96.1665 ± 0.0002°
• β: 96.5247 ± 0.0006°
• γ: 96.2454 ± 0.0005°
• Cell volume: 3678.8 ± 0.1 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: 0.1413
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.2988
• Goodness-of-fit parameter for all reflections included in the refinement: 2.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No