Information card for entry 7013712

Structure parameters

• Common name: Chloro(2-pyridineformamide(N-3- hexamethylene)thiosemicarbazonato)gold(iii) chloride
• Chemical name: Chloro{2-pyridineformamide(N-3-hexamethylene)thiosemicarbazonato}gold(III) chloride
• Formula: C14 H22 Au Cl2 N5 O S
• Calculated formula: C14 H22 Au Cl2 N5 O S
• SMILES: [Au]12([N](=C(c3[n]1cccc3)N)N=C(S2)N1CCCCCC1)Cl.OC.[Cl-]
• 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: 11.594 ± 0.002 Å
• b: 9.266 ± 0.001 Å
• c: 17.738 ± 0.003 Å
• α: 90°
• β: 100.91 ± 0.01°
• γ: 90°
• Cell volume: 1871.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No