Information card for entry 7220091

Structure parameters

• Formula: C73 H71 Au2 Cl3 N4 O4 P2
• Calculated formula: C73 H71 Au2 Cl3 N4 O4 P2
• SMILES: [Au]1([Au]([P](c2ccc3ccccc3c2c2c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc21)(c1ccccc1)c1ccccc1)C#CC1N(C(=O)NC(=O)C=1)CCCCCCCC)C#CC1N(C(=O)NC(=O)C=1)CCCCCCCC.ClC(Cl)Cl
• Title of publication: Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly
• Authors of publication: Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 3460
• a: 11.0678 ± 0.0016 Å
• b: 23.228 ± 0.004 Å
• c: 27.246 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7004.5 ± 1.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No