Information card for entry 1514860

Structure parameters

• Formula: C19 H16 Au Cl N2
• Calculated formula: C19 H16 Au Cl N2
• SMILES: [Au](Cl)=C1N(C=CN1C)Cc1c2ccccc2cc2c1cccc2
• Title of publication: Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.
• Authors of publication: Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1006 - 1015
• a: 12.8493 ± 0.0004 Å
• b: 6.2192 ± 0.0002 Å
• c: 20.5103 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1639.03 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No