Information card for entry 7012535

Structure parameters

• Formula: C42 H42 Au Cl N3 O4 P3 S3
• Calculated formula: C43 H42 Au Cl N3 O4 P3 S3
• SMILES: N(C(=S)[P]([Au]([P](C(=S)NC)(c1ccccc1)c1ccccc1)[P](C(=S)NC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Coordination modes of diphenylphosphinothioformamide in its neutral and deprotonated forms at gold(i)
• Authors of publication: Crespo, Olga; Fernández, Eduardo J.; Jones, Peter G.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pérez, Javier
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1076
• a: 14.0697 ± 0.0009 Å
• b: 14.0697 ± 0.0009 Å
• c: 14.7342 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2526 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No