Information card for entry 2241469

Structure parameters

• Chemical name: Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>'-(pyridin-2-ylmethylidene-κ<i>N</i>)benzohydrazide-κ^2^<i>N</i>',<i>O</i>](thiocyanato-κ<i>N</i>)neodymium(III) nitrate 2.33-hydrate
• Formula: C27 H28.66 N9 Nd O11.33 S
• Calculated formula: C27 H28.656 N9 Nd O11.328 S
• Title of publication: Two mixed-ligand lanthanide‒hydrazone complexes: [Pr(NCS)~3~(pbh)~2~]·H~2~O and [Nd(NCS)(NO~3~)(pbh)~2~(H~2~O)]NO~3~·2.33H~2~O [pbh is <i>N</i>'-(pyridin-2-ylmethylidene)benzohydrazide, C~13~H~11~N~3~O]
• Authors of publication: Paschalidis, Damianos G.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 191 - 195
• a: 11.2796 ± 0.0003 Å
• b: 17.3802 ± 0.0003 Å
• c: 17.4298 ± 0.0004 Å
• α: 90°
• β: 96.8035 ± 0.0009°
• γ: 90°
• Cell volume: 3392.91 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.70173 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes