Information card for entry 4063200

Structure parameters

• Formula: C22 H13 Mn O7
• Calculated formula: C22 H13 Mn O7
• SMILES: [Mn]1234([c]5(C(=O)Oc6ccccc6)[c]1([cH]2[cH]3[cH]45)C(=O)Oc1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Coordination Chemistry of Cyclopentadienyl Ester-Disubstituted Ligands. Synthesis and Solid State Structures of [Na([18]-crown-6)][C5H3(CO2Et)2-1,2] and [Mn{C5H3(CO2Ph)2-1,2}(CO)3]
• Authors of publication: Luigi Busetto; M. Cristina Cassani; Valerio Zanotti; Vincenzo G. Albano; Piera Sabatino
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Pages of publication: 282 - 288
• a: 10.133 ± 0.002 Å
• b: 10.415 ± 0.002 Å
• c: 18.864 ± 0.004 Å
• α: 90°
• β: 103.94 ± 0.03°
• γ: 90°
• Cell volume: 1932.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No