Information card for entry 7114996

Structure parameters

• Formula: C26 H24 Mn O6 P
• Calculated formula: C26 H24 Mn O6 P
• SMILES: [Mn]1234([c]5([c]1(P(c1ccccc1)c1ccccc1)[cH]2[cH]3[cH]45)[C@H]1OCC[C@H](O1)COC)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction
• Authors of publication: Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1290
• a: 7.6659 ± 0.0002 Å
• b: 17.7774 ± 0.0008 Å
• c: 18.6479 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2541.33 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No