Information card for entry 7234664

Structure parameters

• Formula: C10 H20 Mn2 N2 O12
• Calculated formula: C9.9998 H19.9986 Mn2 N1.9998 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: 8.6962 ± 0.0002 Å
• b: 8.6962 ± 0.0002 Å
• c: 13.6572 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 894.44 ± 0.05 ų
• Cell temperature: 360 ± 2 K
• Ambient diffraction temperature: 360 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No