Information card for entry 2204540

Structure parameters

• Chemical name: Bis(guanidinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum
• Formula: C2 H16 La N11 O17
• Calculated formula: C2 H16 La N11 O17
• SMILES: C(=[NH2+])(N)N.N1(=[O][La]2345(ON(=O)=[O]2)(ON(=O)=[O]4)([OH2])(O1)(ON(=[O]3)=O)(ON(=[O]5)=O)[OH2])=O.C(=[NH2+])(N)N
• Title of publication: Bis(guanidinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum
• Authors of publication: Fowkes, Adrian; Harrison, William T. A.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1647 - m1659
• a: 10.9918 ± 0.0006 Å
• b: 9.082 ± 0.0005 Å
• c: 20.5555 ± 0.0011 Å
• α: 90°
• β: 94.5 ± 0.001°
• γ: 90°
• Cell volume: 2045.68 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No