Information card for entry 2017401

Structure parameters

• Chemical name: Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylpyridyl)ethane-1,2- diamine]manganese(III,IV)} tris(perchlorate) hexahydrate
• Formula: C28 H48 Cl3 Mn2 N8 O20
• Calculated formula: C28 H48 Cl3 Mn2 N8 O20
• Title of publication: Di-μ-oxido-bis{bis[<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order‒disorder phase transition
• Authors of publication: Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m447 - m450
• a: 15.1204 ± 0.0009 Å
• b: 12.2337 ± 0.0007 Å
• c: 23.6514 ± 0.0016 Å
• α: 90°
• β: 105.912 ± 0.002°
• γ: 90°
• Cell volume: 4207.4 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes