Information card for entry 7114995

Structure parameters

• Formula: C27 H26 Mn O6 P
• Calculated formula: C27 H26 Mn O6 P
• SMILES: [Mn]1234([c]5([c]1(P(c1ccccc1)c1ccccc1)[cH]2[cH]3[c]45C)[C@@H]1O[C@@H](CCO1)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: 8.0816 ± 0.0007 Å
• b: 15.039 ± 0.0004 Å
• c: 10.9049 ± 0.0009 Å
• α: 90°
• β: 90.422 ± 0.003°
• γ: 90°
• Cell volume: 1325.34 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No