Information card for entry 7704116

Structure parameters

• Common name: DS-603 - 18RPA006
• Formula: C12 H14 Au Cl N2
• Calculated formula: C12 H14 Au Cl N2
• SMILES: [Au](Cl)=C1N(C(=CN1)C)c1c(cccc1C)C
• Title of publication: A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.
• Authors of publication: Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6561 - 6565
• a: 9.7911 ± 0.0002 Å
• b: 11.508 ± 0.0002 Å
• c: 11.9686 ± 0.0002 Å
• α: 90°
• β: 92.2034 ± 0.0012°
• γ: 90°
• Cell volume: 1347.58 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No