Information card for entry 7703630

Structure parameters

• Formula: C27 H22 Au Cl N2
• Calculated formula: C27 H22 Au Cl N2
• SMILES: [Au](Cl)=C1C(=C2N(C(=CC=C2)C)C1(c1ccccc1)c1nc(ccc1)C)c1ccccc1
• Title of publication: Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.
• Authors of publication: Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 4034 - 4038
• a: 13.608 ± 0.0002 Å
• b: 12.0908 ± 0.0001 Å
• c: 14.8143 ± 0.0002 Å
• α: 90°
• β: 110.984 ± 0.002°
• γ: 90°
• Cell volume: 2275.77 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0295
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No