Information card for entry 7202697

Structure parameters

• Formula: C48 H52 Au2 N2 O2 P2 S2
• Calculated formula: C48 H52 Au2 N2 O2 P2 S2
• SMILES: [Au]([P](c1ccccc1)(CCCC[P]([Au]SC(=N\c1ccc(cc1)C)/OCC)(c1ccccc1)c1ccccc1)c1ccccc1)S/C(=N\c1ccc(cc1)C)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: 9.2316 ± 0.0019 Å
• b: 10.341 ± 0.002 Å
• c: 24.703 ± 0.005 Å
• α: 90°
• β: 99.062 ± 0.005°
• γ: 90°
• Cell volume: 2328.8 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No