Information card for entry 7202694

Structure parameters

• Formula: C46 H46 Au2 N4 O6 P2 S2
• Calculated formula: C46 H46 Au2 N4 O6 P2 S2
• SMILES: [Au]([P](CCCC[P]([Au]SC(=N\c1ccc(cc1)N(=O)=O)/OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)S/C(=N\c1ccc(cc1)N(=O)=O)OCC
• Title of publication: Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y
• Authors of publication: Ho, Soo Yei; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 368
• a: 9.2907 ± 0.0005 Å
• b: 11.4082 ± 0.0006 Å
• c: 12.0751 ± 0.0006 Å
• α: 115.352 ± 0.001°
• β: 91.155 ± 0.001°
• γ: 90.652 ± 0.001°
• Cell volume: 1156.07 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No