Information card for entry 4125039

Structure parameters

• Chemical name: bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate
• Formula: C42 H30 Au3 Mn N7 P2
• Calculated formula: C42 H30 Au3 Mn N7 P2
• Title of publication: Dicyanometallates as Model Extended Frameworks.
• Authors of publication: Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5886 - 5896
• a: 16.7035 ± 0.0003 Å
• b: 12.5777 ± 0.0003 Å
• c: 20.6707 ± 0.0004 Å
• α: 90°
• β: 92.5382 ± 0.001°
• γ: 90°
• Cell volume: 4338.48 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No