Information card for entry 2235673

Structure parameters

• Chemical name: Tetraaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III) dihydrate
• Formula: H12 N3 O15 Pr
• Calculated formula: H12 N3 O15 Pr
• SMILES: [N]1(=[O][Pr]34(O1)(ON(=[O]3)=O)(ON(=[O]4)=O)([OH2])([OH2])([OH2])[OH2])=O.O.O
• Title of publication: Redetermination of [Pr(NO~3~)~3~(H~2~O)~4~]·2H~2~O
• Authors of publication: Decadt, Roel; Van Der Voort, Pascal; Van Driessche, Isabel; Van Deun, Rik; Van Hecke, Kristof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: i59 - i60
• a: 6.7017 ± 0.0003 Å
• b: 9.1858 ± 0.0004 Å
• c: 11.701 ± 0.0006 Å
• α: 69.118 ± 0.004°
• β: 88.958 ± 0.004°
• γ: 69.696 ± 0.004°
• Cell volume: 626.6 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes