Information card for entry 2211128

Structure parameters

• Chemical name: Bis(guanidinium) diaquapentanitrato-κ^10^O,O'-praseodymium
• Formula: C2 H16 N11 O17 Pr
• Calculated formula: C2 H16 N11 O17 Pr
• SMILES: C(=[NH2+])(N)N.[Pr]12345(ON(=O)=[O]2)([OH2])([O]=N(=O)O1)([OH2])(ON(=[O]3)=O)(ON(=[O]4)=O)ON(=[O]5)=O.C(=[NH2+])(N)N
• Title of publication: Bis(guanidinium) diaquapentanitrato-κ^10^<i>O</i>,<i>O</i>'-praseodymate(III)
• Authors of publication: Rohde, Alexander; Urland, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3026 - m3028
• a: 10.931 ± 0.003 Å
• b: 9.071 ± 0.003 Å
• c: 20.571 ± 0.005 Å
• α: 90°
• β: 94.78 ± 0.03°
• γ: 90°
• Cell volume: 2032.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0224
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes