Information card for entry 2209362

Structure parameters

• Common name: Bis(homopiperazinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum(III) dinitrate
• Chemical name: Bis(1,4-diazoniacycloheptane) diaquapentakis(nitrato-κ^2^O,O')lanthanum(III) dinitrate ?
• Formula: C10 H32 La N11 O23
• Calculated formula: C10 H32 La N11 O23
• SMILES: C1CC[NH2+]CC[NH2+]1.N1(=[O][La]2345(O1)(ON(=[O]2)=O)(ON(=O)=[O]5)([OH2])(ON(=[O]3)=O)(ON(=[O]4)=O)[OH2])=O.N(=O)(=O)[O-].C1CC[NH2+]CC[NH2+]1.N(=O)(=O)[O-]
• Title of publication: Bis(homopiperazinium) diaquapentakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanate(III) dinitrate
• Authors of publication: Fowkes, Adrian; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1301 - m1303
• a: 17.2458 ± 0.0005 Å
• b: 12.866 ± 0.0004 Å
• c: 13.4908 ± 0.0004 Å
• α: 90°
• β: 105.78 ± 0.001°
• γ: 90°
• Cell volume: 2880.59 ± 0.15 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: 0.03
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes