Information card for entry 7021923

Structure parameters

• Formula: C17 H16 Au Cl N4
• Calculated formula: C17 H16 Au Cl N4
• SMILES: [Au](Cl)=C1N(C=CN1Cc1ccc(N=Nc2ccccc2)cc1)C
• 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: 5.76 ± 0.0008 Å
• b: 7.9251 ± 0.0009 Å
• c: 37.318 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1703.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No