Information card for entry 7222439

Structure parameters

• Formula: C33 H29 Au Cl2 N2 O3
• Calculated formula: C33 H29 Au Cl2 N2 O3
• SMILES: [Au]12(c3c(c4[n]1c(ccc4)c1c2cccc1)cccc3)C#Cc1ccc(C(=O)N[C@H](C(C)C)C(=O)OC)cc1.ClCCl
• Title of publication: Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions
• Authors of publication: Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 8153
• a: 4.92 ± 0.001 Å
• b: 15.711 ± 0.003 Å
• c: 18.775 ± 0.004 Å
• α: 90°
• β: 92.98 ± 0.03°
• γ: 90°
• Cell volume: 1449.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.85 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No