Information card for entry 7014909

Structure parameters

• Common name: h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3
• Chemical name: h5-(3-p-Methoxyphenyl-2-methoxycyclohexadienyl)Mn(CO)3
• Formula: C23 H19 Mn O5
• Calculated formula: C23 H19 Mn O5
• SMILES: [Mn]1234([CH]5=[C]1([C]2(=[CH]3C4C5c1ccccc1)c1ccc(OC)cc1)OC)(C#[O])(C#[O])C#[O]
• Title of publication: New access to (η(5)-cyclohexadienyl)Mn(CO)3 and cationic (η(6)-arene)Mn(CO)3 complexes by Suzuki-Miyaura reaction.
• Authors of publication: Rose-Munch, Françoise; Marti, Alex; Cetiner, Derya; Tranchier, Jean-Philippe; Rose, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1567 - 1575
• a: 34.311 ± 0.005 Å
• b: 10.0678 ± 0.0018 Å
• c: 11.3809 ± 0.0004 Å
• α: 90°
• β: 93.87 ± 0.008°
• γ: 90°
• Cell volume: 3922.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No