Information card for entry 1569854

Structure parameters

• Common name: Bis(dimethoxyethane)magnesium pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)hydroxidooxidodialuminate
• Chemical name: Bis(dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ^3^<i>O</i>,3κ^2^<i>O</i>-μ-hydroxido-1:3κ^2^<i>O</i>-μ~3~-oxido-1:2:3κ^3^<i>O</i>-magnesiumdialuminium
• Formula: C23 H26 Al2 F30 Mg O11
• Calculated formula: C23 H26 Al2 F30 Mg O11
• SMILES: [Al]1([OH][Mg]23([O](C)CC[O]3C)([O](C)CC[O]2C)[O]1[Al](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• Title of publication: Bis(dimethoxyethane-1κ2 O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ3 O,3κ2 O-μ-hydroxido-1:3κ2 O-μ3-oxido-1:2:3κ3 O-magnesiumdialuminium
• Authors of publication: Lozinšek, Matic; Pavčnik, Tjaša; Bitenc, Jan
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• Pages of publication: x230716
• a: 10.68706 ± 0.00009 Å
• b: 19.53919 ± 0.00016 Å
• c: 19.31983 ± 0.00017 Å
• α: 90°
• β: 91.7888 ± 0.0007°
• γ: 90°
• Cell volume: 4032.33 ± 0.06 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No