Information card for entry 7013708

Structure parameters

• Common name: Bromo(2,3-diphenyltetrazole-5-thione)-gold(i)
• Chemical name: Bromo(2,3-diphenyltetrazole-5-thione)-gold(I)
• Formula: C13 H10 Au Br N4 S
• Calculated formula: C13 H10 Au Br N4 S
• SMILES: [Au]([S]=C1N=N(=N(=N1)c1ccccc1)c1ccccc1)Br
• Title of publication: Stable gold(III) complexes with thiosemicarbazone derivatives.
• Authors of publication: Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 677 - 682
• a: 9.724 ± 0.001 Å
• b: 12.061 ± 0.002 Å
• c: 12.8757 ± 0.0018 Å
• α: 90°
• β: 103.49 ± 0.01°
• γ: 90°
• Cell volume: 1468.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No