Information card for entry 2015608

Structure parameters

• Chemical name: di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito- κP)palladium(II)]
• Formula: C48 H42 Cl2 O12 P4 Pd2
• Calculated formula: C48 H42 Cl2 O12 P4 Pd2
• SMILES: [Cl]1[Pd]([P](Oc2ccccc2)(Oc2ccccc2)O)([P](=O)(Oc2ccccc2)Oc2ccccc2)[Cl][Pd]1([P](Oc1ccccc1)(Oc1ccccc1)O)[P](=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κ<i>P</i>)(diphenoxyphosphinito-κ<i>P</i>)palladium(II)]
• Authors of publication: Gniewek, Andrzej; Pryjomska-Ray, Iweta; Trzeciak, Anna M.; Ziółkowski, Józef J.; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m491 - m494
• a: 12.268 ± 0.003 Å
• b: 10.514 ± 0.002 Å
• c: 19.549 ± 0.004 Å
• α: 90°
• β: 106.78 ± 0.03°
• γ: 90°
• Cell volume: 2414.2 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes