Information card for entry 2206187

Structure parameters

• Chemical name: catena-Poly[[[tetrakis(dimethylformamide-κO)magnesium(II)]-μ- diphenylphosphato-κ^2^O:O'] trifluoromethanesulfonate]
• Formula: C25 H38 F3 Mg N4 O11 P S
• Calculated formula: C25 H38 F3 Mg N4 O11 P S
• SMILES: [Mg]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=P(O[Mg]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)(Oc1ccccc1)Oc1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetrakis(dimethylformamide-κ<i>O</i>)magnesium(II)]-μ-diphenylphosphato-κ^2^<i>O</i>:<i>O</i>'] trifluoromethanesulfonate]
• Authors of publication: Adams, Harry; Rolfe, Alan; Jones, Simon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1251 - m1252
• a: 11.2645 ± 0.0019 Å
• b: 11.4907 ± 0.0019 Å
• c: 13.665 ± 0.002 Å
• α: 95.865 ± 0.003°
• β: 104.109 ± 0.003°
• γ: 100.969 ± 0.003°
• Cell volume: 1663.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes