Information card for entry 2215607

Structure parameters

• Chemical name: (Diphenylmethoxyphosphane-κP)(diphenylphosphanito-κP)(3,5,7- tribromotropolonato-κ^2^O,O')palladium(II) methanol solvate
• Formula: C33 H29 Br3 O5 P2 Pd
• Calculated formula: C33 H29 Br3 O5 P2 Pd
• SMILES: [Pd]1([O]=C2C(O1)=C(Br)C=C(Br)C=C2Br)(P(=O)(c1ccccc1)c1ccccc1)[P](OC)(c1ccccc1)c1ccccc1.OC
• Title of publication: (Diphenylmethoxyphosphane-κ<i>P</i>)(diphenylphosphanito-κ<i>P</i>)(3,5,7-tribromotropolonato-κ^2^<i>O</i>,<i>O</i>')palladium(II) methanol solvate
• Authors of publication: Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2613 - m2614
• a: 9.125 ± 0.003 Å
• b: 11.326 ± 0.004 Å
• c: 17.137 ± 0.003 Å
• α: 87.652 ± 0.008°
• β: 78.285 ± 0.007°
• γ: 72.121 ± 0.008°
• Cell volume: 1650 ± 0.9 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: 0.0534
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes