Information card for entry 2014346

Structure parameters

• Chemical name: tris{chloro[6-(1-diphenylphosphinoxy-1-methylethyl)-2- ethylpyridine-κ^2^N,P]methylpalladium(II)} chloroform solvate
• Formula: C67 H76 Cl6 N3 O3 P3 Pd3
• Calculated formula: C67 H76 Cl6 N3 O3 P3 Pd3
• SMILES: [Pd]1(Cl)([P](OC(C)(C)c2[n]1c(ccc2)C)(c1ccccc1)c1ccccc1)C.ClC(Cl)Cl
• Title of publication: New palladium complexes with phosphino- and phosphinitopyridine ligands
• Authors of publication: Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m81 - m86
• a: 14.628 ± 0.001 Å
• b: 28.573 ± 0.005 Å
• c: 17.324 ± 0.002 Å
• α: 90°
• β: 106.39 ± 0.05°
• γ: 90°
• Cell volume: 6947 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes