Information card for entry 4319323

Structure parameters

• Formula: C72 H50 Cl13 Mn4 N4 O16
• Calculated formula: C74 H45 Cl20 Mn4 N4 O16
• Title of publication: Two New Mixed-Valence Manganese Complexes of Formula [Mn4O2(X-benzoato)7(bpy)2] (X = 2-Cl, 2-Br) and the Crystal Structure of the 2-Cl Complex: Ground-State Spin Variability in the [Mn4O2]7+ Complexes
• Authors of publication: Belen Albela; Mohamed Salah El Fallah; Joan Ribas; Kirsten Folting; George Christou; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1037 - 1044
• a: 19.849 ± 0.008 Å
• b: 13.908 ± 0.005 Å
• c: 30.722 ± 0.01 Å
• α: 90°
• β: 107.354 ± 0.019°
• γ: 90°
• Cell volume: 8095 ± 5 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 2.4839
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No