Information card for entry 4064636

Structure parameters

• Formula: C34 H34 F6 Mn N O4 P2 Pd
• Calculated formula: C34 H34 F6 Mn N O4 P2 Pd
• SMILES: [Pd]123([P]([C]45[Mn]678([CH]=5[C@@H]([CH]6=[C]8(OC)[C@]47C[N]1(C)C)c1ccccc1)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)C[CH]3=[CH2]2.[P](F)(F)(F)(F)(F)[F-].[Pd]123([P]([C]45[Mn]678([CH]=5[C@H]([CH]6=[C]8(OC)[C@@]47C[N]1(C)C)c1ccccc1)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)C[CH]3=[CH2]2.[P](F)(F)(F)(F)(F)[F-]
• 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: 15.396 ± 0.002 Å
• b: 14.4156 ± 0.0019 Å
• c: 16.064 ± 0.0011 Å
• α: 90°
• β: 94.855 ± 0.008°
• γ: 90°
• Cell volume: 3552.5 ± 0.7 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: 0.0993
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No