Information card for entry 4306662

Structure parameters

• Formula: C104 H102 Mn13 N4 O38
• Calculated formula: C104 H102 Mn13 N4 O38
• Title of publication: Synthesis, Magnetism, and High-Frequency EPR Spectroscopy of a Family of Mixed-Valent Cuboctahedral Mn13 Complexes with 1,8-Naphthalenedicarboxylate Ligands
• Authors of publication: Christos Lampropoulos; Changhyun Koo; Stephen O. Hill; Khalil Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11180 - 11190
• a: 25.58 ± 0.003 Å
• b: 15.105 ± 0.0015 Å
• c: 28.771 ± 0.003 Å
• α: 90°
• β: 100.315 ± 0.002°
• γ: 90°
• Cell volume: 10937 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.2207
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.567
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No