Information card for entry 4105046

Structure parameters

• Common name: {NH(prol)3}[MnCr(ox)3](H2O)2
• Chemical name: {NH(prol)3}[MnCr(ox)3](H2O)2
• Formula: C15 H26 Cr Mn N O17
• Calculated formula: C15 Cr Mn N O16.99
• Title of publication: Oxalate-Bridged Bimetallic Complexes {NH(prol)3}[MCr(ox)3] (M = MnII, FeII, CoII; NH(prol)3+= Tri(3-hydroxypropyl)ammonium) Exhibiting Coexistent Ferromagnetism and Proton Conduction
• Authors of publication: Hisashi Ōkawa; Akihito Shigematsu; Masaaki Sadakiyo; Takuya Miyagawa; Ko Yoneda; Masaaki Ohba; Hiroshi Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13516 - 13522
• a: 9.3808 ± 0.0014 Å
• b: 9.3808 ± 0.0014 Å
• c: 15.8006 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1204.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No