Information card for entry 7021926

Structure parameters

• Formula: C22 H18 Au Cl N4
• Calculated formula: C22 H18 Au Cl N4
• SMILES: [Au](Cl)=C1N(c2ccc(N=Nc3ccccc3)cc2)C=CN1Cc1ccccc1
• 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: 12.734 ± 0.003 Å
• b: 13.625 ± 0.002 Å
• c: 12.379 ± 0.003 Å
• α: 90°
• β: 111.712 ± 0.007°
• γ: 90°
• Cell volume: 1995.4 ± 0.7 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 5
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No