Information card for entry 7010678

Structure parameters

• Formula: C27 H24 F6 Mn N3 O3 P
• Calculated formula: C27 H24 F6 Mn N3 O3 P
• SMILES: [Mn]12345Oc6c(C=[N]3C3CC([N]4=Cc4c(O1)cccc4)CC([N]5=Cc1c(O2)cccc1)C3)cccc6.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning the metal-based redox potentials of manganese cis,cis-1,3,5-triaminocyclohexane complexes
• Authors of publication: Lewis, Elizabeth A.; Lindsay Smith, John R.; Walton, Paul H.; Archibald, Stephen J.; Foxon, Simon P.; Giblin, Gerard M. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1159
• a: 36.598 ± 0.013 Å
• b: 7.8891 ± 0.0012 Å
• c: 22.623 ± 0.007 Å
• α: 90°
• β: 126.725 ± 0.015°
• γ: 90°
• Cell volume: 5235 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2395
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No