Information card for entry 1544634

Structure parameters

• Formula: C244 H264 B20 F16 Fe8 N56 O56 Pd2
• Calculated formula: C244 H264 B20 F16 Fe8 N56 O56 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: 20.6996 ± 0.0019 Å
• b: 21.9894 ± 0.001 Å
• c: 23.0916 ± 0.0012 Å
• α: 96.416 ± 0.004°
• β: 91.4 ± 0.006°
• γ: 109.195 ± 0.006°
• Cell volume: 9843.2 ± 1.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.2287
• Residual factor for significantly intense reflections: 0.1499
• Weighted residual factors for significantly intense reflections: 0.2913
• Weighted residual factors for all reflections included in the refinement: 0.3359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No