Information card for entry 7044179

Structure parameters

• Chemical name: Complex11a
• Formula: C30 H32 Au N3
• Calculated formula: C30 H32 Au N3
• SMILES: c12cncc3c4c([Au](c5c1ccc(c5)C(C)(C)C)([n]23)Nc1ccccc1)cc(cc4)C(C)(C)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: 15.8481 ± 0.0004 Å
• b: 6.8636 ± 0.0002 Å
• c: 24.2184 ± 0.0007 Å
• α: 90°
• β: 106.999 ± 0.003°
• γ: 90°
• Cell volume: 2519.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No