Information card for entry 1100866

Structure parameters

• Formula: C11 H11 Au Cl N3
• Calculated formula: C11 H11 Au Cl N3
• SMILES: [Au](Cl)=C1N2C(=NN1c1ccccc1)CCC2
• Title of publication: Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes
• Authors of publication: de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2411 - 2418
• a: 7.3539 ± 0.0004 Å
• b: 10.8603 ± 0.0005 Å
• c: 14.5517 ± 0.0007 Å
• α: 91.929 ± 0.001°
• β: 91.323 ± 0.001°
• γ: 101.547 ± 0.001°
• Cell volume: 1137.48 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0218
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No