Information card for entry 4334857

Structure parameters

• Formula: C36 H50 F12 Fe2 O10
• Calculated formula: C36 H50 F12 Fe2 O10
• SMILES: C(C)[O]1[Fe]23(OC(=CC(C(F)(F)F)=[O]3)C(C)(C)C)([O]=C(C(F)(F)F)C=C(O2)C(C)(C)C)[O](CC)[Fe]231([O]=C(C(F)(F)F)C=C(C(C)(C)C)O2)[O]=C(C(F)(F)F)C=C(O3)C(C)(C)C
• Title of publication: Enhanced Vapor-Phase Processing in Fluorinated Fe4 Single-Molecule Magnets
• Authors of publication: Luca Rigamonti; Marco Piccioli; Luigi Malavolti; Lorenzo Poggini; Matteo Mannini; Federico Totti; Brunetto Cortigiani; Agnese Magnani; Roberta Sessoli; Andrea Cornia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5897 - 5905
• a: 8.7808 ± 0.0004 Å
• b: 10.5584 ± 0.0004 Å
• c: 13.6098 ± 0.0006 Å
• α: 67.785 ± 0.0014°
• β: 89.1974 ± 0.0015°
• γ: 80.9034 ± 0.0015°
• Cell volume: 1151.98 ± 0.09 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No