Information card for entry 2015672

Structure parameters

• Chemical name: Bis(1-ferrocenylbutane-1,3-dionato-κ^2^O,O')copper(II)
• Formula: C28 H26 Cu Fe2 O4
• Calculated formula: C28 H26 Cu Fe2 O4
• SMILES: CC1=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C)[c]12[cH]3[cH]4[Fe]5678913([cH]1[cH]8[cH]7[cH]6[cH]51)[cH]4[cH]29
• Title of publication: Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m590 - m593
• a: 29.641 ± 0.0003 Å
• b: 7.4132 ± 0.0001 Å
• c: 10.5656 ± 0.0002 Å
• α: 90°
• β: 92.109 ± 0.001°
• γ: 90°
• Cell volume: 2320.06 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes