Information card for entry 4303321

Structure parameters

• Formula: C108 H96 Mn6 N7 O18
• Calculated formula: C102 H82 Mn6 N4 O18
• Title of publication: Mn4, Mn6, and Mn11 Clusters from the Use of Bulky Diphenyl(pyridine-2-yl)methanol
• Authors of publication: Taketo Taguchi; Matthew R. Daniels; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9325 - 9335
• a: 13.5311 ± 0.0019 Å
• b: 13.6589 ± 0.0018 Å
• c: 27.034 ± 0.004 Å
• α: 98.178 ± 0.003°
• β: 90.914 ± 0.003°
• γ: 105.032 ± 0.003°
• Cell volume: 4769.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No