Information card for entry 4000978

Structure parameters

• Formula: C22 H34 F12 Mg O12
• Calculated formula: C22 H34 F12 Mg O12
• SMILES: FC(C1=CC(=[O][Mg]2(O1)([OH2])([OH2])OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F.COCCOCCOC.COCCOCCOC
• Title of publication: Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films
• Authors of publication: Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2062
• a: 8.952 ± 0.003 Å
• b: 9.036 ± 0.003 Å
• c: 11.98 ± 0.01 Å
• α: 110.44 ± 0.05°
• β: 108.64 ± 0.04°
• γ: 97.06 ± 0.03°
• Cell volume: 829.9 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.08
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No