Information card for entry 2207602

Structure parameters

• Chemical name: Bis{4-methyl-N-[(Z)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(phenyl)methyl]anilinato-κ^2^N,O}cobalt(II)
• Formula: C48 H40 Co N6 O2
• Calculated formula: C48 H40 Co N6 O2
• SMILES: [Co]12(Oc3n(nc(c3C(=[N]1c1ccc(cc1)C)c1ccccc1)C)c1ccccc1)Oc1n(nc(c1C(=[N]2c1ccc(cc1)C)c1ccccc1)C)c1ccccc1
• Title of publication: Bis{4-methyl-<i>N</i>-[(<i>Z</i>)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]anilinato-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: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2741 - m2742
• a: 10.6785 ± 0.0006 Å
• b: 13.3996 ± 0.0008 Å
• c: 16.1443 ± 0.0009 Å
• α: 106.334 ± 0.001°
• β: 96.64 ± 0.001°
• γ: 109.95 ± 0.001°
• Cell volume: 2025.6 ± 0.2 ų
• Cell temperature: 292 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes