Information card for entry 4124905

Structure parameters

• Formula: C244 H244 B12 F48 Fe10 N69 O70.5 S16
• Calculated formula: C240.6 H244 B12 F37.8 Fe10 N67.3 O63.7 S12.6
• Title of publication: Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.
• Authors of publication: Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 2046 - 2054
• a: 28.113 ± 0.001 Å
• b: 28.7242 ± 0.0011 Å
• c: 29.266 ± 0.0011 Å
• α: 96.234 ± 0.003°
• β: 114.116 ± 0.004°
• γ: 110.958 ± 0.003°
• Cell volume: 19222.6 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1215
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6948 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No