Information card for entry 4134909

Structure parameters

• Formula: C164 H117 F24 Fe2 N25 O16 S8
• Calculated formula: C161.946 H117 F17.838 Fe2 N23.968 O11.892 S5.946
• 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: 18.925 ± 0.004 Å
• b: 19.158 ± 0.004 Å
• c: 48.752 ± 0.01 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 17647 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.1303
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No