Information card for entry 4134907

Structure parameters

• Formula: C438 H420 Cd6 F36 N60 O60 S12
• Calculated formula: C433.71 H420 Cd6 F23.13 N60 O47.13 S7.71
• 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: 24.8897 ± 0.0002 Å
• b: 50.19 ± 0.0003 Å
• c: 90.1828 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 112658 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1742
• Residual factor for significantly intense reflections: 0.1488
• Weighted residual factors for significantly intense reflections: 0.3915
• Weighted residual factors for all reflections included in the refinement: 0.4093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No