Information card for entry 7000189

Structure parameters

• Formula: C38 H36 Cl Mn N O4 P Pd
• Calculated formula: C38 H36 Cl Mn N O4 P Pd
• SMILES: [Pd]1(Cl)(c2ccccc2[C@H](C)[N]1(C)C)[P]([C]12=[C]3([Mn]451(C3[C@H]([CH]5=[CH]24)c1ccccc1)(C#[O])(C#[O])C#[O])OC)(c1ccccc1)c1ccccc1
• Title of publication: First example of an enantiopure planar chiral ligand built on a (η5-cyclohexadienyl)Mn(CO)3 scaffold
• Authors of publication: Cetiner, Derya; Jacques, Béatrice; Payet, Elina; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Tranchier, Jean-Philippe; Herson, Patrick
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 27 - 29
• a: 11.3085 ± 0.0019 Å
• b: 15.525 ± 0.003 Å
• c: 20.7 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3634.2 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No