Information card for entry 2207341

Structure parameters

• Chemical name: trans-Diethanolbis[1-phenyl-3-methyl-4-acetyl-1H-pyrazol-5(4H)-onato- κ^2^O,O']cobalt(II)
• Formula: C28 H34 Co N4 O6
• Calculated formula: C28 H34 Co N4 O6
• SMILES: CC[OH][Co]12(Oc3c(c(C)nn3c3ccccc3)C(=[O]1)C)([O]=C(c1c(n(c3ccccc3)nc1C)O2)C)[OH]CC
• Title of publication: <i>trans</i>-Bis[4-acetyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>O</i>,<i>O</i>']diethanolcobalt(II)
• Authors of publication: Shi, Jing Min; Zhang, Feng Xia; Wu, Chang Ju; Liu, Lian Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2320 - m2321
• a: 9.5694 ± 0.0013 Å
• b: 14.3386 ± 0.0019 Å
• c: 10.7533 ± 0.0015 Å
• α: 90°
• β: 109.07 ± 0.002°
• γ: 90°
• Cell volume: 1394.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes