Information card for entry 7041904

Structure parameters

• Formula: C4 H8 F6 Mg O8
• Calculated formula: C4 H8 F6 Mg O8
• SMILES: [Mg]([OH2])([OH2])([OH2])([OH2])(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).
• Authors of publication: Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1420 - 1430
• a: 8.0985 ± 0.0009 Å
• b: 9.0458 ± 0.0011 Å
• c: 9.3604 ± 0.0011 Å
• α: 88.324 ± 0.006°
• β: 65.021 ± 0.005°
• γ: 71.131 ± 0.006°
• Cell volume: 583.55 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No