Information card for entry 2243620

Structure parameters

• Chemical name: Diazido[5-ethoxycarbonyl-2-(5-ethoxycarbonylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]gold(III)
• Formula: C17 H16 Au N7 O4
• Calculated formula: C17 H16 Au N7 O4
• SMILES: [Au]1(c2cc(C(=O)OCC)ccc2c2[n]1cc(cc2)C(=O)OCC)(N=N#N)N=N#N
• Title of publication: Crystal structure of (N^C) cyclometalated Au^III^ diazide at 100K
• Authors of publication: Levchenko, Volodymyr; Øien-Ødegaard, Sigurd; Wragg, David; Tilset, Mats
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1725 - 1727
• a: 7.0788 ± 0.0005 Å
• b: 24.6279 ± 0.0016 Å
• c: 10.584 ± 0.0007 Å
• α: 90°
• β: 91.059 ± 0.001°
• γ: 90°
• Cell volume: 1844.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes