Information card for entry 7123329

Structure parameters

• Chemical name: (bis)tetra(n-butyl)ammonium manganese(II) (tris)dicyanoaurate perchlorate
• Formula: C38 H72 Au3 Cl Mn N8 O4
• Calculated formula: C38 H72 Au3 Cl0.99975 Mn N8 O3.9984
• Title of publication: Inorganic co-crystal formation and thermal disproportionation in a dicyanometallate ‘superperovskite’
• Authors of publication: Hill, Joshua A.; Murray, Claire A.; Tang, Chiu C.; Thygesen, Peter M. M.; Thompson, Amber L.; Goodwin, Andrew L.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.4048 ± 0.0003 Å
• b: 21.4048 ± 0.0002 Å
• c: 21.3901 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9800.21 ± 0.19 ų
• Cell temperature: 30 K
• Ambient diffraction temperature: 30 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections: 0.2779
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0653
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No