Information card for entry 4134908

Structure parameters

• Formula: C246.5 H171.75 Cd4 F24 N41.25 O36 S8
• Calculated formula: C245.204 H170.25 Cd4 F20.1135 N41.25 O32.1135 S6.7045
• Title of publication: Transformation Network Culminating in a Heteroleptic Cd₆L₆L'₂ Twisted Trigonal Prism.
• Authors of publication: Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 20
• Pages of publication: 9152 - 9157
• a: 22.9361 ± 0.0015 Å
• b: 23.5657 ± 0.0015 Å
• c: 48.429 ± 0.003 Å
• α: 90.316 ± 0.002°
• β: 93.473 ± 0.002°
• γ: 99.963 ± 0.002°
• Cell volume: 25731 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No