Information card for entry 1544632

Structure parameters

• Formula: C160 H192 B20 F16 Fe8 N56 O48 Pd2
• Calculated formula: C160 H192 B20 F16 Fe8 N56 O48 Pd2
• 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: 41.2884 ± 0.0009 Å
• b: 14.0841 ± 0.0004 Å
• c: 54.0058 ± 0.0015 Å
• α: 90°
• β: 97.789 ± 0.002°
• γ: 90°
• Cell volume: 31115.2 ± 1.4 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2129
• Residual factor for significantly intense reflections: 0.1467
• Weighted residual factors for significantly intense reflections: 0.2909
• Weighted residual factors for all reflections included in the refinement: 0.3321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No