Information card for entry 4319567

Structure parameters

• Formula: C44 H40 Cu2 F12 N8 O4 P2
• Calculated formula: C44 H40 Cu2 F12 N8 O4 P2
• SMILES: [Cu]12345[O]6[Cu]78[O]1c1c(cccc1C=[N]8CC[N]7=Cc1c6c(C(OC)(c6[n]2cccc6)c2[n]3cccc2)ccc1)C(OC)(c1[n]4cccc1)c1[n]5cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites
• Authors of publication: Louise M. Liable-Sands; Christopher Incarvito; Arnold L. Rheingold; C. Jin Qin; Anna L. Gavrilova; B. Bosnich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2147 - 2155
• a: 13.4631 ± 0.0003 Å
• b: 13.7955 ± 0.0002 Å
• c: 14.7086 ± 0.0003 Å
• α: 97.339 ± 0.0003°
• β: 106.521 ± 0.0007°
• γ: 113.053 ± 0.0008°
• Cell volume: 2319.68 ± 0.08 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: 0.0612
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No