Information card for entry 7234663

Structure parameters

• Formula: C10 H20 Mn2 N2 O12
• Calculated formula: C10 H18.804 Mn2 N2 O12
• Title of publication: Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]
• Authors of publication: Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3185 - 3194
• a: 8.5685 ± 0.0002 Å
• b: 15.3292 ± 0.0004 Å
• c: 13.6602 ± 0.0003 Å
• α: 90°
• β: 90.226 ± 0.002°
• γ: 90°
• Cell volume: 1794.23 ± 0.07 ų
• Cell temperature: 345 ± 2 K
• Ambient diffraction temperature: 345 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No