Information card for entry 4321364

Structure parameters

• Common name: (2)3.5MeOH
• Formula: C37.5 H46 Mn2 N8 O11.5 S2
• Calculated formula: C37.5 H32 Mn2 N8 O11.5 S2
• Title of publication: Monodentate-Bridged Phosphodiester and Sulfate Complexes: Structural Insights into the Biological Activation of Phosphodiesters, Sulfate, and Sulfate Esters
• Authors of publication: Chuan He; Victoria Gomez; Bernhard Spingler; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4188 - 4189
• a: 10.1166 ± 0.0001 Å
• b: 18.8468 ± 0.0002 Å
• c: 22.1816 ± 0.0001 Å
• α: 90°
• β: 94.687 ± 0.001°
• γ: 90°
• Cell volume: 4215.12 ± 0.06 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No