Information card for entry 7116207

Structure parameters

• Formula: C29 H31 Au B F4 N7 O2
• Calculated formula: C29 H31 Au B F4 N7 O2
• SMILES: [Au]1=C2N(c3ccccc3N2CCCNC(=O)c2nc(ccc2)C(=O)NCCCN2C=1N(c1c2cccc1)C)C.[B](F)(F)(F)[F-]
• Title of publication: Controlled access to a heterometallic N-heterocyclic carbene helicate.
• Authors of publication: Teng, Qiaoqiao; Huynh, Han Vinh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1248 - 1251
• a: 13.924 ± 0.007 Å
• b: 15.956 ± 0.008 Å
• c: 14.787 ± 0.008 Å
• α: 90°
• β: 116.941 ± 0.009°
• γ: 90°
• Cell volume: 2929 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No