Information card for entry 7107932

Structure parameters

• Formula: C37 H39 Au Cl N
• Calculated formula: C37 H39 Au Cl N
• SMILES: [Au](Cl)=c1n(cc(cc1c1c(cccc1C)C)c1c(cccc1C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C
• Title of publication: 1,3,5-Triaryl 2-pyridylidene: base-promoted generation and complexation
• Authors of publication: Kazuhiro Hata; Yasutomo Segawa; Kenichiro Itami
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6642
• a: 13.666 ± 0.003 Å
• b: 16.763 ± 0.003 Å
• c: 15.097 ± 0.003 Å
• α: 90°
• β: 111.758 ± 0.003°
• γ: 90°
• Cell volume: 3212.1 ± 1.1 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No