Information card for entry 4302210

Structure parameters

• Formula: C31 H31 Cl2 Mn N7 O8
• Calculated formula: C31 H31 Cl2 Mn N7 O8
• Title of publication: Fluxionality in a Paramagnetic Seven-Coordinate Iron(II) Complex: A Variable-Temperature, Two-Dimensional NMR and DFT Study
• Authors of publication: David G. Lonnon; Graham E. Ball; Ivan Taylor; Donald C. Craig; Stephen B. Colbran
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4863 - 4872
• a: 11.48 ± 0.006 Å
• b: 12.232 ± 0.007 Å
• c: 14.203 ± 0.008 Å
• α: 111.36 ± 0.03°
• β: 97.77 ± 0.03°
• γ: 111.22 ± 0.03°
• Cell volume: 1647.6 ± 1.8 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No