Information card for entry 2233738

Structure parameters

• Chemical name: <i>cis</i>-Dichloridobis[tris(2-methylphenoxy)phosphane-κ<i>P</i>]palladium(II)
• Formula: C42 H42 Cl2 O6 P2 Pd
• Calculated formula: C42 H42 Cl2 O6 P2 Pd
• SMILES: [Pd](Cl)(Cl)([P](Oc1c(cccc1)C)(Oc1c(cccc1)C)Oc1c(cccc1)C)[P](Oc1c(cccc1)C)(Oc1c(cccc1)C)Oc1c(cccc1)C
• Title of publication: <i>cis</i>-Dichloridobis[tris(2-methylphenoxy)phosphane-κ<i>P</i>]palladium(II)
• Authors of publication: Błaszczyk, Izabela; Trzeciak, Anna M.; Gniewek, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m270 - m271
• a: 9.575 ± 0.003 Å
• b: 12.248 ± 0.004 Å
• c: 17.814 ± 0.005 Å
• α: 106.12 ± 0.03°
• β: 90.42 ± 0.03°
• γ: 98.74 ± 0.03°
• Cell volume: 1981 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes