Information card for entry 2208175

Structure parameters

• Common name: bis(dibenzoylmethanato)di(thiomorpholine)cobalt(II)
• Chemical name: bis(1,3-diphenylpropane-1,3-dionato)bis(thiomorpholine)cobalt(II)
• Formula: C38 H40 Co N2 O4 S2
• Calculated formula: C38 H40 Co N2 O4 S2
• SMILES: [Co]12([NH]3CCSCC3)([O]=C(C=C(c3ccccc3)O2)c2ccccc2)([NH]2CCSCC2)[O]=C(C=C(c2ccccc2)O1)c1ccccc1
• Title of publication: Self-assembly of bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')bis(thiomorpholine-κ<i>N</i>)cobalt(II)
• Authors of publication: Nenad Judaš; Ivan Halasz; Dejan-Krešimir Bučar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m283 - m285
• a: 19.345 ± 0.002 Å
• b: 8.1767 ± 0.0009 Å
• c: 22.104 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496.4 ± 0.6 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes