Information card for entry 7122147

Structure parameters

• Formula: C600 H696 B48 Fe24 N168 O144 Pd6
• Calculated formula: C600 H696 B48 Fe24 N168 O144 Pd6
• Title of publication: Inflating face-capped Pd₆L₈ coordination cages.
• Authors of publication: Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 68
• Pages of publication: 9529 - 9532
• a: 52.2358 ± 0.0008 Å
• b: 52.2358 ± 0.0008 Å
• c: 52.2358 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 142529 ± 4 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.2419
• Residual factor for significantly intense reflections: 0.1435
• Weighted residual factors for significantly intense reflections: 0.3646
• Weighted residual factors for all reflections included in the refinement: 0.4521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No