Information card for entry 1518254

Structure parameters

• Formula: C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6
• Calculated formula: C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6
• Title of publication: Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups
• Authors of publication: Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1004
• a: 77.1812 ± 0.0001 Å
• b: 77.1812 ± 0.0001 Å
• c: 77.1812 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 459764 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2584
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.715 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No