Information card for entry 4064634

Structure parameters

• Formula: C31 H29 Mn N O4 P
• Calculated formula: C31 H29 Mn N O4 P
• SMILES: [Mn]1234([CH]5=[C]1(P(c1ccccc1)c1ccccc1)C2([C]3(OC)=[CH]4C5c1ccccc1)CN(C)C)(C#[O])(C#[O])C#[O]
• 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: 13.857 ± 0.003 Å
• b: 14.903 ± 0.002 Å
• c: 15.7761 ± 0.0017 Å
• α: 96.164 ± 0.008°
• β: 106.077 ± 0.014°
• γ: 105.134 ± 0.017°
• Cell volume: 2964.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No