Information card for entry 2204417

Structure parameters

• Chemical name: Dichloro{1-[2-(diphenylphosphino-κP)ethyl]-1,3-dihydro-3-(2,4,6- trimethylphenyl)-2H-imidazol-2-ylidene-κC}palladium(II) diethyl ether solvate
• Formula: C30 H37 Cl2 N2 O P Pd
• Calculated formula: C30 H37 Cl2 N2 O P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CCN2C=1N(C=C2)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: Dichloro{1-[2-(diphenylphosphino-κ<i>P</i>)ethyl]-1,3-dihydro-3-(2,4,6-trimethylphenyl)-2<i>H</i>-imidazol-2-ylidene-κ<i>C</i>}palladium(II) diethyl ether solvate
• Authors of publication: Lee, Hon Man; Chiu, Pei Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1473 - m1474
• a: 13.046 ± 0.005 Å
• b: 14.242 ± 0.006 Å
• c: 16.289 ± 0.007 Å
• α: 90°
• β: 95.01 ± 0.04°
• γ: 90°
• Cell volume: 3015 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes