Information card for entry 2015883

Structure parameters

• Chemical name: catena-poly[[bis(1,3-diphenylpropane-1,3-dionato-κ^2^O,O')cobalt(II)]-μ- ethylenebis(diphenylphosphine oxide)-κ^2^O:O']
• Formula: C56 H46 Co O6 P2
• Calculated formula: C56 H46 Co O6 P2
• SMILES: [Co]12([O]=C(c3ccccc3)C=C(O1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)CCP(c1ccccc1)(c1ccccc1)=[O][Co]12([O]=C(c3ccccc3)C=C(O1)c1ccccc1)[O]=C(c1ccccc1)C=C(O2)c1ccccc1
• Title of publication: Unexpected oxidation of a diphosphine by bis(1,3-diphenylpropane-1,3-dionato)cobalt(II), [Co(dbm)~2~]
• Authors of publication: Harding, David J.; Harding, Phimphaka; Thurakitseree, Theerapol; Adams, Harry
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m163 - m165
• a: 9.2994 ± 0.0013 Å
• b: 10.9817 ± 0.0016 Å
• c: 11.6053 ± 0.0017 Å
• α: 85.816 ± 0.007°
• β: 88.349 ± 0.006°
• γ: 71.349 ± 0.007°
• Cell volume: 1119.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes