Information card for entry 4301363

Structure parameters

• Formula: C142 H206 Cl16 Mn6 N4 O38
• Calculated formula: C128 H174 Cl3 Mn6 N3 O38
• Title of publication: A Nontwisted, Ferromagnetically Coupled MnIII3O Triangular Complex from the Use of 2,6-Bis(hydroxymethyl)-p-cresol
• Authors of publication: Christos Lampropoulos; Khalil A. Abboud; Theocharis C. Stamatatos; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 813 - 815
• a: 26.38 ± 0.05 Å
• b: 29.954 ± 0.006 Å
• c: 19.741 ± 0.004 Å
• α: 90°
• β: 93.56 ± 0.04°
• γ: 90°
• Cell volume: 15569 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No