Information card for entry 4124902

Structure parameters

• Formula: C140 H141 B24 F32 Fe8 N68 O52.5 Pd4
• Calculated formula: C140 H140 B22.5 F26 Fe8 N68 O52.5 Pd4
• 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: 23.5385 ± 0.0004 Å
• b: 24.5623 ± 0.0005 Å
• c: 29.7285 ± 0.0005 Å
• α: 86.548 ± 0.001°
• β: 83.135 ± 0.001°
• γ: 66.14 ± 0.002°
• Cell volume: 15604.9 ± 0.5 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: 0.1585
• Residual factor for significantly intense reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.3475
• Weighted residual factors for all reflections included in the refinement: 0.3727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6948 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No