Information card for entry 4322318

Structure parameters

• Formula: C35 H28 F12 Mn N2 O7 P
• Calculated formula: C35 H28 F12 Mn N2 O7 P
• SMILES: [Mn]123([O]=N4=C([N](=O)C(C4(C)C)(C)C)c4c(P(=[O]3)(c3ccccc3)c3ccccc3)cccc4)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F
• 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: 10.6672 ± 0.0019 Å
• b: 13.27 ± 0.006 Å
• c: 15.363 ± 0.003 Å
• α: 93.84 ± 0.02°
• β: 108.054 ± 0.016°
• γ: 105.69 ± 0.03°
• Cell volume: 1963.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No