Information card for entry 1100864

Structure parameters

• Formula: C30 H48 Au2 Cl2 N4
• Calculated formula: C30 H48 Au2 Cl2 N4
• SMILES: [Au](Cl)=C1N(C=CN1C1CCCCC1)C1CCCCC1
• 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: 9.557 ± 0.0005 Å
• b: 19.4416 ± 0.001 Å
• c: 17.6956 ± 0.0009 Å
• α: 90°
• β: 103.144 ± 0.001°
• γ: 90°
• Cell volume: 3201.8 ± 0.3 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No