Information card for entry 7202693

Structure parameters

• Formula: C48 H52 Au2 N2 O2 P2 S2
• Calculated formula: C48 H52 Au2 N2 O2 P2 S2
• SMILES: [Au]([P](CCCC[P]([Au]SC(=N\c1ccccc1)/OC(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)S/C(=N\c1ccccc1)OC(C)C
• 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: 8.9734 ± 0.0012 Å
• b: 10.5472 ± 0.0014 Å
• c: 25.098 ± 0.003 Å
• α: 90°
• β: 92.957 ± 0.003°
• γ: 90°
• Cell volume: 2372.2 ± 0.5 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: 0.048
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No