Information card for entry 7201039

Structure parameters

• Common name: Ammonium trisodium tris(2,2?-oxydiacetato)- praseodymium(iii)tiocyanate tetraahydrate
• Chemical name: Ammonium trisodium tris(2,2?-oxydiacetato)-praseodymium(III)tiocyanate tetraahydrate
• Formula: C13 H24 N2 Na3 O19 Pr S
• Calculated formula: C13 H12 N2 Na3 O19 Pr S
• SMILES: C1(=O)C[O]2CC(=O)O[Pr]34562(O1)(OC(=O)C[O]3CC(=O)O4)OC(=O)C[O]5CC(=O)O6.C(#N)[S-].O.O.O.O.[NH4+].[Na+].[Na+].[Na+]
• Title of publication: Total spontaneous resolution of nine-coordinate complexes
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1979
• a: 9.1741 ± 0.0011 Å
• b: 9.3387 ± 0.0016 Å
• c: 17.7642 ± 0.0016 Å
• α: 83.75 ± 0.02°
• β: 72.724 ± 0.01°
• γ: 86.44 ± 0.02°
• Cell volume: 1443.9 ± 0.3 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Ambient diffracton pressure: 105 kPa
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No