Information card for entry 4303412

Structure parameters

• Formula: C84 H154 Co Cr7 F8 N O33
• Calculated formula: C84 H154 Co Cr7 F8 N O33
• SMILES: O1[Cr]2345[F][Cr]67([F][Co]89([F][Cr]%10%11([F][Cr]%12%13([F][Cr]%14%15([F][Cr]%16%17([F][Cr]([F]2)([O]=C(O4)C(C)(C)C)(OC(=[O]5)C(C)(C)C)([O]=C(O%16)C(C)(C)C)OC(=[O]%17)C(C)(C)C)([O]=C(O%14)C(C)(C)C)OC(=[O]%15)C(C)(C)C)([O]=C(O%12)C(C)(C)C)OC(=[O]%13)C(C)(C)C)([O]=C(O%10)C(C)(C)C)OC(=[O]%11)C(C)(C)C)([O]=C(O8)C(C)(C)C)OC(=[O]9)C(C)(C)C)([O]=C(O6)C(C)(C)C)OC(=[O]7)C(C)(C)C)([O]=C1C(C)(C)C)OC(=[O]3)C(C)(C)C.[NH2+]1CCOCC1
• Title of publication: Proton NMR Study of Cr-Co Heterometallic Wheel Complexes
• Authors of publication: E. Carolina Sañudo; Thomas B. Faust; Christopher A. Muryn; Robin G. Pritchard; Grigore A. Timco; Richard E. P. Winpenny
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9811 - 9818
• a: 45.12 ± 0.002 Å
• b: 16.3843 ± 0.0003 Å
• c: 35.0977 ± 0.001 Å
• α: 90°
• β: 114.491 ± 0.004°
• γ: 90°
• Cell volume: 23611.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No