Information card for entry 7008736

Structure parameters

• Formula: C19.86 Cr Mn N O12
• Calculated formula: C19.86 Cr Mn N O12
• Title of publication: Structure, magnetism and optical properties of achiral and chiral two-dimensional oxalate-bridged anionic networks with symmetric and asymmetric ammonium cations.
• Authors of publication: Ovanesyan, Nikolaï S; Makhaev, Viktor D.; Aldoshin, Sergei M.; Gredin, Patrick; Boubekeur, Kamal; Train, Cyrille; Gruselle, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3101 - 3107
• a: 9.375 ± 0.002 Å
• b: 9.375 ± 0.002 Å
• c: 51.014 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3883 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No