Information card for entry 2206786

Structure parameters

• Chemical name: Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate
• Formula: C30 H31 La N13 O12
• Calculated formula: C30 H29 La N13 O12
• SMILES: [La]123(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH2])([OH2])([n]1cn(cc1)c1ccc(n2cncc2)cc1)[n]1cn(cc1)c1ccc(n2cncc2)cc1.O.n1cn(c2ccc(n3cncc3)cc2)cc1
• Title of publication: Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate
• Authors of publication: Wei-Yin Sun; Zheng-Hua Zhang; Jin-Mao Zhong; Hiroyuki Kawaguchi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1876 - m1877
• a: 12.334 ± 0.009 Å
• b: 12.98 ± 0.011 Å
• c: 13.688 ± 0.01 Å
• α: 112.51 ± 0.011°
• β: 90.343 ± 0.002°
• γ: 114.825 ± 0.01°
• Cell volume: 1801 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No