Information card for entry 2226561

Structure parameters

• Chemical name: Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)) perchlorate hemihydrate
• Formula: C19 H25 Cl Mn N2 O10.5
• Calculated formula: C19 H24 Cl Mn N2 O10
• Title of publication: Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanolmanganese(III)) perchlorate hemihydrate
• Authors of publication: Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m851 - m852
• a: 22.7438 ± 0.0015 Å
• b: 13.3986 ± 0.0009 Å
• c: 16.3266 ± 0.001 Å
• α: 90°
• β: 101.324 ± 0.007°
• γ: 90°
• Cell volume: 4878.4 ± 0.6 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes