Information card for entry 2242180

Structure parameters

• Chemical name: Tris(μ~2~-methanolato)-μ~3~-oxido-tris[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III) perchlorate‒dichloromethane‒diethyl ether (1/1.096/0.906)
• Formula: C49.71 H56.23 Cl6.19 Mn3 N6 O11.9
• Calculated formula: C49.7122 H56.2324 Cl6.1924 Mn3 N6 O11.904
• Title of publication: Tris(μ~2~-methanolato)-μ~3~-oxido-tris{[(<i>E</i>)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III)} perchlorate‒dichloromethane‒diethyl ether (1/1.1/0.9)
• Authors of publication: Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1113 - 1116
• a: 16.0002 ± 0.0003 Å
• b: 19.389 ± 0.0002 Å
• c: 19.1631 ± 0.0003 Å
• α: 90°
• β: 100.073 ± 0.0018°
• γ: 90°
• Cell volume: 5853.3 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1258
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes