Information card for entry 7016298

Structure parameters

• Formula: C52 H41 Cl2 P3 Pd S2
• Calculated formula: C52 H41 Cl2 P3 Pd S2
• Title of publication: Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation.
• Authors of publication: Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8912 - 8921
• a: 8.9679 ± 0.0012 Å
• b: 20.433 ± 0.003 Å
• c: 24.908 ± 0.005 Å
• α: 90°
• β: 94.22 ± 0.012°
• γ: 90°
• Cell volume: 4551.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1982
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No