Information card for entry 7033376

Structure parameters

• Formula: C12 H12 Au Cl N2
• Calculated formula: C12 H12 Au Cl N2
• SMILES: [Au](Cl)=C1N(c2ccccc2N1CCC#C)C
• Title of publication: N-heterocyclic carbene gold(I) and silver(I) complexes bearing functional groups for bio-conjugation.
• Authors of publication: Garner, Mary E.; Niu, Weijia; Chen, Xigao; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1914 - 1923
• a: 16.1759 ± 0.0009 Å
• b: 9.0017 ± 0.0005 Å
• c: 17.1889 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2502.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No