Information card for entry 4338132

Structure parameters

• Formula: C49.25 H44.5 Au2 Cl0.5 Fe2 P2 S4
• Calculated formula: C49.25 H44.5 Au2 Cl0.5 Fe2 P2 S4
• Title of publication: High-coordinate gold(i) complexes with dithiocarboxylate ligands.
• Authors of publication: Kaub, Christoph; Augenstein, Timo; Bauer, Thomas O.; Rothe, Elisa; Esmezjan, Lars; Schünemann, Volker; Roesky, Peter W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4491 - 4499
• a: 15.18 ± 0.003 Å
• b: 20.75 ± 0.004 Å
• c: 16.74 ± 0.003 Å
• α: 90°
• β: 105.8 ± 0.03°
• γ: 90°
• Cell volume: 5073.6 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No