Information card for entry 2233610

Structure parameters

• Chemical name: Nonaaquapraseodymium triiodide‒thiourea (1/2)
• Formula: C2 H26 I3 N4 O9 Pr S2
• Calculated formula: C2 H26 I3 N4 O9 Pr S2
• SMILES: C(=S)(N)N.[I-].[I-].[OH2][Pr]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(=S)(N)N.[I-]
• Title of publication: Nonaaquapraseodymium triiodide‒thiourea (1/2)
• Authors of publication: Antonenko, Taisia A.; Alikberova, Lyudmila Yu.; Albov, Dmitry V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m110
• a: 24.934 ± 0.018 Å
• b: 8.439 ± 0.003 Å
• c: 14.143 ± 0.008 Å
• α: 90°
• β: 124.68 ± 0.05°
• γ: 90°
• Cell volume: 2447 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: Agkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes