Information card for entry 2234884

Structure parameters

• Chemical name: Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^<i>N</i>,<i>N</i>'}neodymium(III)
• Formula: C36 H30 Cl3 N6 Nd O3
• Calculated formula: C36 H30 Cl3 N6 Nd O3
• SMILES: [Nd]123(Cl)(Cl)(Cl)([N](O)=C(c4ccccc4)c4[n]1cccc4)([N](O)=C(c1ccccc1)c1[n]2cccc1)[n]1c(C(=[N]3O)c2ccccc2)cccc1
• Title of publication: Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^<i>N</i>,<i>N</i>'}neodymium(III)
• Authors of publication: Yang, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m578 - m579
• a: 8.6367 ± 0.0017 Å
• b: 10.46 ± 0.002 Å
• c: 19.847 ± 0.004 Å
• α: 91.87 ± 0.03°
• β: 94.38 ± 0.03°
• γ: 92.8 ± 0.03°
• Cell volume: 1784.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes