Information card for entry 4337839

Structure parameters

• Formula: C8 H14 Au Cl N2
• Calculated formula: C8 H14 Au Cl N2
• SMILES: [Au](Cl)=C1N(C=CN1C)CCCC
• Title of publication: Chemistry and biology of two novel gold(i) carbene complexes as prospective anticancer agents.
• Authors of publication: Messori, Luigi; Marchetti, Lorella; Massai, Lara; Scaletti, Federica; Guerri, Annalisa; Landini, Ida; Nobili, Stefania; Perrone, Gabriele; Mini, Enrico; Leoni, Piero; Pasquali, Marco; Gabbiani, Chiara
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2396 - 2403
• a: 8.2009 ± 0.0006 Å
• b: 10.6215 ± 0.0007 Å
• c: 12.1355 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.07 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No