Information card for entry 7021925

Structure parameters

• Formula: C22 H19 F6 N4 P
• Calculated formula: C22 H19 F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].N(=Nc1ccccc1)c1c(n2c[n+](Cc3ccccc3)cc2)cccc1
• Title of publication: Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.
• Authors of publication: Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14749 - 14756
• a: 25.965 ± 0.005 Å
• b: 12.038 ± 0.002 Å
• c: 14.377 ± 0.003 Å
• α: 90°
• β: 105.212 ± 0.007°
• γ: 90°
• Cell volume: 4336.3 ± 1.4 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 5
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No