Information card for entry 7016425

Structure parameters

• Formula: C36 H28 Au2 Cl2 P2
• Calculated formula: C36 H28 Au2 Cl2 P2
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ccc([P]([Au]Cl)(c2ccccc2)c2ccccc2)cc1
• Title of publication: Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation.
• Authors of publication: Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8887 - 8895
• a: 17.3144 ± 0.0004 Å
• b: 11.9885 ± 0.0003 Å
• c: 17.2423 ± 0.0005 Å
• α: 90°
• β: 103.392 ± 0.0012°
• γ: 90°
• Cell volume: 3481.73 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No