Information card for entry 4321365

Structure parameters

• Common name: (2)4.5H2O.MeOH
• Formula: C35 H45 Mn2 N8 O13.5 S2
• Calculated formula: C35 H32 Mn2 N8 O13.5 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: 11.2851 ± 0.0002 Å
• b: 20.8509 ± 0.0005 Å
• c: 17.2826 ± 0.0004 Å
• α: 90°
• β: 92.855 ± 0.001°
• γ: 90°
• Cell volume: 4061.63 ± 0.15 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: 0.0747
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No