Information card for entry 4130786

Structure parameters

• Formula: C330 H165 Cl8 Fe4 N51 O32
• Calculated formula: C329.994 H165 Cl5.7 Fe4 N51 O22.8
• Title of publication: Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.
• Authors of publication: Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 33
• Pages of publication: 10417 - 10420
• a: 26.1142 ± 0.0013 Å
• b: 26.1142 ± 0.0013 Å
• c: 110.422 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 65214 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.3501
• Weighted residual factors for all reflections included in the refinement: 0.3749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No