Information card for entry 1544633

Structure parameters

• Formula: C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5
• Calculated formula: C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5
• Title of publication: PdII2L4-type coordination cages up to three nanometers in size
• Authors of publication: Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1901
• a: 21.3764 ± 0.0008 Å
• b: 21.4422 ± 0.0009 Å
• c: 23.5362 ± 0.001 Å
• α: 105.44 ± 0.004°
• β: 91.132 ± 0.003°
• γ: 90.267 ± 0.003°
• Cell volume: 10396.1 ± 0.8 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No