Information card for entry 4130344

Structure parameters

• Formula: C505 H366 B120 F180 Fe10 N71 O30
• Calculated formula: C505 H366 B77.9976 F137.998 Fe10 N71 O30
• 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: 29.007 ± 0.003 Å
• b: 35.476 ± 0.004 Å
• c: 44.206 ± 0.004 Å
• α: 100.828 ± 0.004°
• β: 96.645 ± 0.005°
• γ: 96.07 ± 0.005°
• Cell volume: 44000 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2321
• Residual factor for significantly intense reflections: 0.1794
• Weighted residual factors for significantly intense reflections: 0.44
• Weighted residual factors for all reflections included in the refinement: 0.4719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No