Information card for entry 4064635

Structure parameters

• Formula: C34 H34 Cl Mn N O4 P Pd
• Calculated formula: C34 H34 Cl Mn N O4 P Pd
• SMILES: [Pd]1(Cl)([N](CC23[Mn]456([CH](=[C]24[P]1(c1ccccc1)c1ccccc1)C([CH]6=[C]35OC)c1ccccc1)(C#[O])(C#[O])C#[O])(C)C)CC=C
• Title of publication: Synthesis and Application in Catalysis of Planar Chiral (η5-Cyclohexadienyl)tricarbonylmanganese-Based Ligands
• Authors of publication: Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric; Agbossou-Niedercorn, Francine; Chamoreau, Lise-Marie; Gontard, Geoffrey
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3530
• a: 11.103 ± 0.002 Å
• b: 18.587 ± 0.004 Å
• c: 16.2684 ± 0.0012 Å
• α: 90°
• β: 93.953 ± 0.009°
• γ: 90°
• Cell volume: 3349.3 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No