Information card for entry 2201824

Structure parameters

• Chemical name: catena-Poly[[[tetraaqualanthanum(III)]-di-μ~2~-isoniconitinato-κ^2^O:O'] nitrate]
• Formula: C12 H16 La N3 O11
• Calculated formula: C12 H8 La N3 O11
• SMILES: [La]1([OH2])([OH2])([OH2])([OH2])[O]=C(c2ccncc2)O[La]([OH2])([OH2])([OH2])([OH2])([O]=C(O1)c1ccncc1)(OC(c1ccncc1)=O)OC(c1ccncc1)=O.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isoniconitinato-κ^2^<i>O</i>:<i>O</i>'] nitrate]
• Authors of publication: Li-Zhen Cai; Ming-Sheng Wang; Guo-Wei Zhou; Guo-Cong Guo; Jiang-Gao Mao; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m249 - m251
• a: 9.2732 ± 0.0012 Å
• b: 19.963 ± 0.003 Å
• c: 10.2565 ± 0.0013 Å
• α: 90°
• β: 109.021 ± 0.002°
• γ: 90°
• Cell volume: 1795 ± 0.4 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: 0.0513
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes