Information card for entry 4341797

Structure parameters

• Formula: C226 H188 Ca2 Cl20 Mn8 N12 O40
• Calculated formula: C226 H188 Ca2 Cl20 Mn8 N12 O40
• 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: 16.5865 ± 0.0002 Å
• b: 17.456 ± 0.0002 Å
• c: 19.3789 ± 0.0003 Å
• α: 110.62 ± 0.001°
• β: 94.871 ± 0.001°
• γ: 94.214 ± 0.001°
• Cell volume: 5200.18 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.68239 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No