Information card for entry 7010752

Structure parameters

• Formula: C43 H63 F6 Mn2 N5 O8 P
• Calculated formula: C43 H61 F6 Mn2 N5 O8 P
• SMILES: [Mn]1234([O](CC)[Mn]567([O]2C(CC[N]3=Cc2c(O1)cccc2)CC[N]6(Cc1ccccc1)CC[N]7(Cc1[n]5cccc1)Cc1ncccc1)[O]=C(O4)C)OCC.[P](F)(F)(F)(F)(F)[F-].OCC.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: 12.1741 ± 0.0002 Å
• b: 13.5908 ± 0.0002 Å
• c: 16.5007 ± 0.0002 Å
• α: 79.2919 ± 0.0008°
• β: 68.9785 ± 0.0003°
• γ: 79.8058 ± 0.0008°
• Cell volume: 2485.87 ± 0.06 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: 0.1035
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.3149
• Weighted residual factors for all reflections included in the refinement: 0.3224
• Goodness-of-fit parameter for all reflections included in the refinement: 2.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No