Information card for entry 7220092

Structure parameters

• Formula: C68 H72 Au2 Cl2 N4 O5 P2
• Calculated formula: C68 H72 Au2 Cl2 N4 O5 P2
• SMILES: [Au]1([Au]([P](c2cccc3c2Oc2c([P]1(c1ccccc1)c1ccccc1)cccc2C3(C)C)(c1ccccc1)c1ccccc1)C#CC1C(=O)NC(=O)N(C=1)CCCCCCCC)C#CC1C(=O)NC(=O)N(C=1)CCCCCCCC.ClCCl
• 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: 30.3688 ± 0.0018 Å
• b: 26.6704 ± 0.0015 Å
• c: 21.7986 ± 0.0012 Å
• α: 90°
• β: 109.056 ± 0.0016°
• γ: 90°
• Cell volume: 16688.2 ± 1.7 ų
• Cell temperature: 277 K
• Ambient diffraction temperature: 277 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No