Information card for entry 2241013

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-1,2-diphenylethane-1,2-\ diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate
• Formula: C29 H28 Cl2 N2 O Pd
• Calculated formula: C29 H28 Cl2 N2 O Pd
• SMILES: [Pd]1([N](=C(C(=[N]1c1ccc(cc1)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C)(Cl)Cl.OC
• Title of publication: Crystal structure of [<i>N</i>,<i>N</i>'-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate
• Authors of publication: Peñaloza, Alfredo; Fronczek, Frank R.; Isovitsch, Ralph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m164 - m165
• a: 8.8213 ± 0.0003 Å
• b: 12.3364 ± 0.0003 Å
• c: 12.7697 ± 0.0004 Å
• α: 108.992 ± 0.002°
• β: 93.9 ± 0.003°
• γ: 92.457 ± 0.003°
• Cell volume: 1307.83 ± 0.07 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes