Information card for entry 7044183

Structure parameters

• Chemical name: Complex3
• Formula: C33 H36 Au N3 O
• Calculated formula: C33 H36 Au N3 O
• SMILES: [Au]12(c3c(c4[n]1c(cnc4)c1c2cc(cc1)C(C)(C)C)ccc(c3)C(C)(C)C)C(=O)Nc1c(cccc1C)C
• Title of publication: (C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties
• Authors of publication: Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.6774 ± 0.0002 Å
• b: 13.163 ± 0.0004 Å
• c: 14.82 ± 0.0003 Å
• α: 86.993 ± 0.002°
• β: 77.343 ± 0.002°
• γ: 73.665 ± 0.002°
• Cell volume: 1402.23 ± 0.07 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No