Information card for entry 7129281

Structure parameters

• Formula: C47 H49 Au4 Cl3 N2 O1.5 P2 S
• Calculated formula: C47 H49 Au4 Cl3 N2 O1.5 P2 S
• SMILES: [S]1([Au]23[N](=CN([Au]3Cl)c3c([P]([Au]Cl)(c4ccccc4)c4ccccc4)cccc3)c3c([P]([Au]2Cl)(c2ccccc2)c2ccccc2)cccc3)CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Tetra- and hexanuclear string complexes of the coinage metals
• Authors of publication: Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 27.7643 ± 0.0013 Å
• b: 12.964 ± 0.0004 Å
• c: 31.9939 ± 0.0016 Å
• α: 90°
• β: 109.695 ± 0.004°
• γ: 90°
• Cell volume: 10842.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No