Information card for entry 7031410

Structure parameters

• Formula: C36 H29 Cl P2 Pd Se
• Calculated formula: C36 H29 Cl P2 Pd Se
• SMILES: [Pd]1([Se]=P(c2c1cccc2)(c1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(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: 9.0444 ± 0.0002 Å
• b: 32.6774 ± 0.0006 Å
• c: 10.7989 ± 0.0002 Å
• α: 90°
• β: 94.9592 ± 0.0008°
• γ: 90°
• Cell volume: 3179.64 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No