Information card for entry 2222576

Structure parameters

• Chemical name: Bis(μ-phenylmethanolato)bis({4-[(<i>E</i>)-(4-<i>tert</i>-butylphenyl)(2- pyridylmethylimino)methyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5- olato}zinc(II))
• Formula: C68 H68 N8 O4 Zn2
• Calculated formula: C68 H68 N8 O4 Zn2
• SMILES: c1(ccccc1)n1c2c(c(n1)C)C(=[N]1[Zn]3([n]4c(C1)cccc4)(O2)[O](Cc1ccccc1)[Zn]12([N](=C(c4c(nn(c5ccccc5)c4O2)C)c2ccc(cc2)C(C)(C)C)Cc2[n]1cccc2)[O]3Cc1ccccc1)c1ccc(cc1)C(C)(C)C
• Title of publication: Bis(μ-phenylmethanolato)bis({4-[(<i>E</i>)-(4-<i>tert</i>-butylphenyl)(2-pyridylmethylimino)methyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-olato}zinc(II))
• Authors of publication: Hsiao, Mon-Wei; Lin, Chu-Chieh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m864 - m865
• a: 9.0873 ± 0.0015 Å
• b: 13.363 ± 0.002 Å
• c: 13.397 ± 0.002 Å
• α: 72.206 ± 0.003°
• β: 74.018 ± 0.003°
• γ: 88.664 ± 0.003°
• Cell volume: 1485.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes