Information card for entry 7016300

Structure parameters

• Formula: C34 H28 P2 S2
• Calculated formula: C34 H28 P2 S2
• SMILES: S=P(c1ccccc1)(c1ccccc1)C1=CC(P(=S)(c2ccccc2)c2ccccc2)(c2ccccc12)C
• 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: 9.3107 ± 0.0002 Å
• b: 15.8384 ± 0.0003 Å
• c: 20.4529 ± 0.0004 Å
• α: 90°
• β: 106.571 ± 0.001°
• γ: 90°
• Cell volume: 2890.85 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No