Information card for entry 4001035

Structure parameters

• Formula: C28 H24 B Cu F4 N4
• Calculated formula: C28 H24 B Cu F4 N4
• SMILES: [F-][B](F)(F)F.Cc1ccc2c3[n]1[Cu]1([n]4c3c(cc2)ccc4C)[n]2c(C)ccc3c2c2[n]1c(C)ccc2cc3
• 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: 12.514 ± 0.003 Å
• b: 18.018 ± 0.004 Å
• c: 23.063 ± 0.005 Å
• α: 90°
• β: 90.103 ± 0.004°
• γ: 90°
• Cell volume: 5200 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No