Information card for entry 7032095

Structure parameters

• Formula: C19 H21 Au Cl N3
• Calculated formula: C19 H21 Au Cl N3
• SMILES: [Au](Cl)=C1N(N=C(c2ccccc2)N1c1ccc(C)cc1)C(C)(C)C
• Title of publication: Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.
• Authors of publication: Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15465 - 15474
• a: 8.926 ± 0.0003 Å
• b: 11.0071 ± 0.0006 Å
• c: 11.018 ± 0.0008 Å
• α: 62.047 ± 0.005°
• β: 71.966 ± 0.006°
• γ: 80.177 ± 0.005°
• Cell volume: 908.82 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No