Information card for entry 4338131

Structure parameters

• Formula: C51 H47 Cu Fe O P2 S2
• Calculated formula: C51 H47 Cu Fe O P2 S2
• 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: 10.78 ± 0.002 Å
• b: 13.154 ± 0.003 Å
• c: 19.292 ± 0.004 Å
• α: 95.35 ± 0.03°
• β: 100.13 ± 0.03°
• γ: 94.48 ± 0.03°
• Cell volume: 2668.7 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No