Information card for entry 4130347

Structure parameters

• Formula: C509 H321 F213 Fe10 N74 O2 P20 S
• Calculated formula: C509 H315 F199.5 Fe10 N74 O2 P17.75 S
• Title of publication: Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.
• Authors of publication: Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 21
• Pages of publication: 6813 - 6821
• a: 31.49 ± 0.003 Å
• b: 32.933 ± 0.003 Å
• c: 41.016 ± 0.004 Å
• α: 86.685 ± 0.005°
• β: 80.468 ± 0.004°
• γ: 65.452 ± 0.004°
• Cell volume: 38154 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2877
• Residual factor for significantly intense reflections: 0.2118
• Weighted residual factors for significantly intense reflections: 0.502
• Weighted residual factors for all reflections included in the refinement: 0.5527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.517
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No