Information card for entry 2208460

Structure parameters

• Chemical name: Bis{5-methyl-2-phenyl-4-[(3-tolylamino-κN)phenylmethylene]-1H-pyrazol-3(4H)- onato-κO}cobalt(II)
• Formula: C48 H40 Co N6 O2
• Calculated formula: C48 H40 Co N6 O2
• SMILES: [Co]12(Oc3n(nc(c3C(=[N]1c1cc(ccc1)C)c1ccccc1)C)c1ccccc1)Oc1n(nc(c1C(=[N]2c1cc(ccc1)C)c1ccccc1)C)c1ccccc1
• Title of publication: Bis{5-methyl-2-phenyl-4-[(3-tolylamino-κ<i>N</i>)phenylmethylene]-1<i>H</i>-pyrazol-3(4<i>H</i>)-onato-κ<i>O</i>}cobalt(II)
• Authors of publication: Bao, Feng; Jiao, Yuan-Hong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m558 - m559
• a: 10.0829 ± 0.0005 Å
• b: 12.2184 ± 0.0007 Å
• c: 17.857 ± 0.001 Å
• α: 99.864 ± 0.001°
• β: 94.422 ± 0.001°
• γ: 105.554 ± 0.001°
• Cell volume: 2070.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No