Information card for entry 7017924

Structure parameters

• Formula: C44 H52 Au3 Cl3 N6 O4 P2 S2
• Calculated formula: C44 H52 Au3 Cl3 N6 O4 P2 S2
• Title of publication: Aurophilicity in gold(I) thiosemicarbazone clusters.
• Authors of publication: Castiñeiras, Alfonso; Pedrido, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1363 - 1372
• a: 10.769 ± 0.003 Å
• b: 10.466 ± 0.002 Å
• c: 23.213 ± 0.005 Å
• α: 90°
• β: 92.877 ± 0.004°
• γ: 90°
• Cell volume: 2613 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No