Information card for entry 2210523

Structure parameters

• Chemical name: Bis{(Z)-4-[(benzylamino)phenylmethylene]-3-methyl-1-phenylpyrazol-5(4H)- onato-κ^2^N^4^,O}cobalt(II)
• Formula: C48 H40 Co N6 O2
• Calculated formula: C48 H40 Co N6 O2
• SMILES: [Co]12(Oc3n(nc(c3C(=[N]1Cc1ccccc1)c1ccccc1)C)c1ccccc1)Oc1n(nc(c1C(=[N]2Cc1ccccc1)c1ccccc1)C)c1ccccc1
• Title of publication: Bis{[(<i>Z</i>)-4-(5-methyl-3-oxo-2-phenylpyrazol-4-yl)phenylmethylene]benzylamido-κ^2^<i>N</i>,<i>O</i>}cobalt(II)
• Authors of publication: Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2711 - m2712
• a: 19.736 ± 0.001 Å
• b: 17.389 ± 0.001 Å
• c: 12.002 ± 0.001 Å
• α: 90°
• β: 102.234 ± 0.001°
• γ: 90°
• Cell volume: 4025.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes