Information card for entry 4078837

Structure parameters

• Formula: C11 H16 Au Cl N2
• Calculated formula: C11 H16 Au Cl N2
• SMILES: [Au](Cl)=C1N2N(C3=C1CCCC3)CCCC2
• Title of publication: Syntheses, Characterizations, and a Preliminary Comparative Cytotoxicity Study of Gold(I) and Gold(III) Complexes Bearing Benzimidazole- and Pyrazole-Derived N-Heterocyclic Carbenes
• Authors of publication: Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5875
• a: 10.5789 ± 0.0008 Å
• b: 8.7778 ± 0.0007 Å
• c: 12.9485 ± 0.001 Å
• α: 90°
• β: 91.434 ± 0.002°
• γ: 90°
• Cell volume: 1202.01 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No