Information card for entry 7013724

Structure parameters

• Formula: C28 H28 F6 Mn N10 O7 S2
• Calculated formula: C28 H28 F6 Mn N10 O7 S2
• SMILES: [Mn]1234([n]5c(cccc5c5[n]2cc[nH]5)c2[n]1cc[nH]2)[n]1c(cccc1c1[n]4cc[nH]1)c1[n]3cc[nH]1.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].O(CC)CC
• Title of publication: Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.
• Authors of publication: Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 407 - 412
• a: 13.09 ± 0.002 Å
• b: 14.326 ± 0.001 Å
• c: 19.808 ± 0.001 Å
• α: 90°
• β: 105.468 ± 0.005°
• γ: 90°
• Cell volume: 3580 ± 0.6 ų
• Cell temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No