Information card for entry 4068229

Structure parameters

• Formula: C11 H12 Au Cl N2
• Calculated formula: C11 H12 Au Cl N2
• SMILES: [Au](Cl)=C1N2N(c3c1cccc3)CCCC2
• Title of publication: Gold Complexes of an Alicyclic Indazole-Derived N-Heterocyclic Carbene: Syntheses, Characterizations, and Ligand Disproportionation
• Authors of publication: Sivaram, Haresh; Jothibasu, Ramasamy; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1195
• a: 20.5207 ± 0.0009 Å
• b: 16.2535 ± 0.0008 Å
• c: 13.8301 ± 0.0007 Å
• α: 90°
• β: 101.615 ± 0.001°
• γ: 90°
• Cell volume: 4518.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No