Information card for entry 4317796

Structure parameters

• Formula: C9 H10 Au B Cl2 N6
• Calculated formula: C9 H10 Au B Cl2 N6
• SMILES: [Au]1(Cl)(Cl)[n]2n(ccc2)[BH](n2[n]1ccc2)n1nccc1
• Title of publication: Synthesis of Tris- and Tetrakis(pyrazol-1-yl)borate Gold(III) Complexes. Crystal Structures of [Au{κ2-N,N'-BH(Pz)3}Cl2] (pz = Pyrazol-1-yl) and [Au{κ2-N,N'-B(Pz)4}(κ2-C,N-C6H4CH2NMe2-2)]ClO4.CHCl3
• Authors of publication: José Vicente; María Teresa Chicote; Rita Guerrero; Ulrich Herber; Delia Bautista
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1870 - 1875
• a: 9.062 ± 0.0006 Å
• b: 13.1237 ± 0.0009 Å
• c: 11.9099 ± 0.0007 Å
• α: 90°
• β: 100.219 ± 0.004°
• γ: 90°
• Cell volume: 1393.94 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.0915
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No