Information card for entry 7710648

Structure parameters

• Formula: C367.4 H332.1 B16 F64 N74.3 Ni8 O22.2
• Calculated formula: C354.4 H280.1 B9.6 F38.4 N74.3 Ni8 O9.2
• Title of publication: Inside or outside the box? Effect of substrate location on coordination-cage based catalysis
• Authors of publication: Solea, Atena B.; Sudittapong, Burin; Taylor, Christopher G. P.; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 31.4788 ± 0.0005 Å
• b: 30.5879 ± 0.0005 Å
• c: 39.9794 ± 0.0007 Å
• α: 90°
• β: 100.927 ± 0.002°
• γ: 90°
• Cell volume: 37797 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.2009
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.3261
• Weighted residual factors for all reflections included in the refinement: 0.4049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No