Information card for entry 2011446

Structure parameters

• Formula: C12 H24 B2 F8 Na5 Nd O21
• Calculated formula: C12 H24 B2 F8 Na5 Nd O21
• SMILES: [B](F)(F)(F)[F-].C1C(O[Nd]23456([O]1CC(=O)O4)([O](CC(=O)O2)CC(=O)O6)[O](CC(=O)O3)CC(=O)O5)=O.[Na+].O.[Na+].O.O.[B](F)(F)(F)[F-].O.O.O.[Na+].[Na+].[Na+]
• Title of publication: Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)
• Authors of publication: Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e435 - e436
• a: 9.7508 ± 0.0007 Å
• b: 9.7508 ± 0.0007 Å
• c: 28.177 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2320.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes