Information card for entry 4310217

Structure parameters

• Formula: C43 H30 Cl16 Mn2 N6 O10
• Calculated formula: C43 H22 Cl16 Mn2 N6 O10
• Title of publication: Syntheses, Crystal Structures, and Spectroscopic and Magnetic Properties of [Mn2III(H2L1)(Cl4Cat)4.2H2O]∞and [Mn2III(H2L2)(Cl4Cat)4.2CH3CN.2H2O]\ιnfty: Temperature-Dependent Valence Tautomerism in Solution
• Authors of publication: Nizamuddin Shaikh; Sanchita Goswami; Anangamohan Panja; Hao-Ling Sun; Feng Pan; Song Gao; Pradyot Banerjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9714 - 9722
• a: 14.4593 ± 0.0002 Å
• b: 20.7949 ± 0.0004 Å
• c: 18.2264 ± 0.0003 Å
• α: 90°
• β: 98.649 ± 0.001°
• γ: 90°
• Cell volume: 5417.99 ± 0.16 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No