Information card for entry 1518252

Structure parameters

• Formula: C24 H28 B2 Cl6 Fe N8 O6
• Calculated formula: C24 H28 B2 Cl6 Fe N8 O6
• 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: 24.287 ± 0.003 Å
• b: 8.1945 ± 0.0005 Å
• c: 20.396 ± 0.0018 Å
• α: 90°
• β: 120.269 ± 0.013°
• γ: 90°
• Cell volume: 3505.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No