Information card for entry 7031414

Structure parameters

• Formula: C31 H23 N2 O3 P Pd Se
• Calculated formula: C31 H23 N2 O3 P Pd Se
• SMILES: [Pd]12([N](=Cc3c(O1)cccc3)c1ccc(N(=O)=O)cc1)[Se]=P(c1c2cccc1)(c1ccccc1)c1ccccc1
• Title of publication: ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.
• Authors of publication: Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12000 - 12012
• a: 8.2026 ± 0.0002 Å
• b: 11.32 ± 0.0003 Å
• c: 15.5766 ± 0.0004 Å
• α: 81.6051 ± 0.0012°
• β: 84.968 ± 0.0017°
• γ: 71.6954 ± 0.0016°
• Cell volume: 1357.09 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No