Information card for entry 4338029

Structure parameters

• Chemical name: mu-fluorido-bis(difluorido-1,4,7-trimethyltriazacyclononane-manganese(III)) hexafluorophosphate
• Formula: C18 H42 F11 Mn2 N6 P
• Calculated formula: C18 H42 F11 Mn2 N6 P
• Title of publication: Magnetic Interactions through Fluoride: Magnetic and Spectroscopic Characterization of Discrete, Linearly Bridged [Mn(III)2(μ-F)F4(Me3tacn)2](PF6).
• Authors of publication: Pedersen, Kasper S.; Sigrist, Marc; Weihe, Høgni; Bond, Andrew D.; Thuesen, Christian Aa; Simonsen, Kim P.; Birk, Torben; Mutka, Hannu; Barra, Anne-Laure; Bendix, Jesper
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5013 - 5019
• a: 7.3362 ± 0.0005 Å
• b: 7.4467 ± 0.0006 Å
• c: 13.8751 ± 0.001 Å
• α: 75.658 ± 0.003°
• β: 81.412 ± 0.003°
• γ: 72.302 ± 0.003°
• Cell volume: 697.37 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No