Information card for entry 4341796

Structure parameters

• Formula: C134 H148 Ca Cl5 Mn4 N11 O30
• Calculated formula: C134 H132 Ca Cl5 Mn4 N11 O30
• Title of publication: Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization
• Authors of publication: Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2137
• a: 14.7076 ± 0.0012 Å
• b: 29.524 ± 0.002 Å
• c: 31.846 ± 0.002 Å
• α: 90°
• β: 101.206 ± 0.003°
• γ: 90°
• Cell volume: 13564.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1268
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No