Information card for entry 7122145

Structure parameters

• Formula: C93 H99 B6 Fe3 N21 O18
• Calculated formula: C93 H99 B6 Fe3 N21 O18
• 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: 18.077 ± 0.0018 Å
• b: 49.704 ± 0.002 Å
• c: 12.9398 ± 0.0007 Å
• α: 90°
• β: 103.811 ± 0.008°
• γ: 90°
• Cell volume: 11290.3 ± 1.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No