Information card for entry 4322319

Structure parameters

• Formula: C70 H56 F24 Mn2 N4 O14 P2
• Calculated formula: C70 H56 F24 Mn2 N4 O14 P2
• SMILES: c12ccc(cc1)P(=[O][Mn]13(ON4C(c5ccc(cc5)P(=[O][Mn]56(ON7C2=N(C(C7(C)C)(C)C)=O)([O]=C(C=C(O5)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)(c2ccccc2)c2ccccc2)=N(C(C4(C)C)(C)C)=O)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Magnetism of Mono- and Binuclear Manganese(II) Compounds of Nitronyl Nitroxide Substituted Phosphine Oxides
• Authors of publication: Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Stéphane Golhen; Lahcène Ouahab; Janis Kliava; Olivier Kahn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4753 - 4758
• a: 12.463 ± 0.006 Å
• b: 19.315 ± 0.003 Å
• c: 17.084 ± 0.009 Å
• α: 90°
• β: 98.49 ± 0.02°
• γ: 90°
• Cell volume: 4067 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No