Information card for entry 7033666

Structure parameters

• Formula: C31 H23 Au2 Cl2 N O2 P2
• Calculated formula: C31 H23 Au2 Cl2 N O2 P2
• SMILES: [Au](Cl)[P](C(=O)c1nc(C(=O)[P]([Au]Cl)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1
• Title of publication: A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.
• Authors of publication: Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4167 - 4179
• a: 8.4416 ± 0.0018 Å
• b: 17.82 ± 0.004 Å
• c: 9.883 ± 0.002 Å
• α: 90°
• β: 91.51 ± 0.003°
• γ: 90°
• Cell volume: 1486.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No