Information card for entry 4080735

Structure parameters

• Formula: C25 H33 Cl Cr O5 P2 Pd
• Calculated formula: C25 H33 Cl Cr O5 P2 Pd
• SMILES: [Pd]12(Cl)[P](Oc3[c]45[Cr]6789([c]4(cc(c23)O[P]1(C(C)C)C(C)C)[cH]9[cH]8[cH]7[cH]56)(C#[O])(C#[O])C#[O])(C(C)C)C(C)C
• Title of publication: Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes
• Authors of publication: Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2661
• a: 11.488 ± 0.001 Å
• b: 13.505 ± 0.001 Å
• c: 18.355 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No