Information card for entry 7025082

Structure parameters

• Formula: C22 H26 Au Br2 Cl N8 S2
• Calculated formula: C22 H26 Au Br2 Cl N8 S2
• SMILES: C(N)(N/N=C(\C)c1ccc(cc1)Br)=[S][Au][S]=C(N)N/N=C(C)/c1ccc(cc1)Br.N#CC.[Cl-].N#CC
• Title of publication: Gold(I) derived thiosemicarbazone complexes with rare halogen-halogen interaction-reduction of [Au(damp-C1,N)Cl2].
• Authors of publication: Khanye, Setshaba D.; Báthori, Nikoletta B; Smith, Gregory S.; Chibale, Kelly
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2697 - 2700
• a: 11.846 ± 0.002 Å
• b: 10.358 ± 0.002 Å
• c: 24.577 ± 0.005 Å
• α: 90°
• β: 101.89 ± 0.03°
• γ: 90°
• Cell volume: 2950.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No