Information card for entry 2242006

Structure parameters

• Chemical name: Bis{<i>N</i>-[1-(pyridin-2-yl-κ<i>N</i>)ethyl]pyridine-4-carbohydrazonato-κ^2^<i>N</i>',<i>O</i>}nickel(II)‒2,5-dibromoterephthalic acid (1/1)
• Formula: C34 H26 Br2 N8 Ni O6
• Calculated formula: C34 H26 Br2 N8 Ni O6
• SMILES: c12C(=[N]3N=C(c4ccncc4)O[Ni]453([n]1cccc2)[n]1c(cccc1)C(=[N]4N=C(O5)c1ccncc1)C)C.OC(=O)c1c(Br)cc(c(Br)c1)C(=O)O
• Title of publication: Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids
• Authors of publication: Nakanishi, Takumi; Sato, Osamu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 103 - 106
• a: 7.874 ± 0.0014 Å
• b: 8.9716 ± 0.0015 Å
• c: 24.233 ± 0.004 Å
• α: 75.04 ± 0.009°
• β: 82.162 ± 0.01°
• γ: 86.007 ± 0.011°
• Cell volume: 1637.3 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0582
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes