Information card for entry 7051640

Structure parameters

• Formula: C30 H28 B2 Cd F8 N8 O4
• Calculated formula: C30 H28 B2 Cd F8 N8 O4
• SMILES: [Cd]123([n]4c(cccc4)c4[n]1n(cc4)Cc1cc4c(cc1Cn1[n]3c(c3[n]2cccc3)cc1)cccc4)[F]B(F)(F)F.[B](F)(F)(F)[F-].O=N(=O)C.O=N(=O)C
• Title of publication: Further investigations into tetrahedral M4L6 cage complexes containing guest anions: new structures and NMR spectroscopic studies
• Authors of publication: Tidmarsh, Ian S.; Taylor, Brian F.; Hardie, Michaele J.; Russo, Luca; Clegg, William; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 366
• a: 16.0291 ± 0.0003 Å
• b: 13.6181 ± 0.0003 Å
• c: 16.6842 ± 0.0003 Å
• α: 90°
• β: 117.256 ± 0.001°
• γ: 90°
• Cell volume: 3237.56 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0389
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No