Information card for entry 4001032

Structure parameters

• Common name: 07146
• Formula: C66 H48 B Cu F24 N4
• Calculated formula: C66 H48 B Cu F24 N4
• SMILES: CC(c1ccc2c3[n]1[Cu]1([n]4c(C)ccc5c4c4[n]1c(C)ccc4cc5)[n]1c3c(cc2)ccc1C(C)(C)C)(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors
• Authors of publication: Smith, Conor S.; Mann, Kent R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 5042
• a: 12.9582 ± 0.0009 Å
• b: 13.1246 ± 0.0009 Å
• c: 20.0338 ± 0.0014 Å
• α: 106.486 ± 0.001°
• β: 100.577 ± 0.001°
• γ: 98.147 ± 0.001°
• Cell volume: 3143 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No