Information card for entry 7104436

Structure parameters

• Formula: C16 H13 Au Br N2 O2 P
• Calculated formula: C16 H13 Au Br N2 O2 P
• SMILES: [Au](Br)[P](C1C(=O)NC(=O)NC=1)(c1ccccc1)c1ccccc1
• Title of publication: Self-assembly of a hydrogen bonded framework from a gold phosphine complex with a pendant uracil group.
• Authors of publication: Nixon, Tracy D; Dingwall, Lee D; Lynam, Jason M; Whitwood, Adrian C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 2890 - 2892
• a: 32.641 ± 0.002 Å
• b: 11.6174 ± 0.0007 Å
• c: 13.4569 ± 0.0008 Å
• α: 90°
• β: 91.615 ± 0.001°
• γ: 90°
• Cell volume: 5100.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.025
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No