Information card for entry 2236518

Structure parameters

• Chemical name: Bis(diphenyl-<i>p</i>-tolylphosphane-κ<i>P</i>)(2-hydroxy-3,5,7-\ bromocyclohepta-2,4,6-trienonato-κ^2^<i>O</i>,<i>O</i>')copper(I)
• Formula: C45 H36 Br3 Cu O2 P2
• Calculated formula: C45 H36 Br3 Cu O2 P2
• SMILES: C12=C(C=C(Br)C=C(C2=[O][Cu](O1)([P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C)Br)Br
• Title of publication: Bis(diphenyl-<i>p</i>-tolylphosphane-κ<i>P</i>)(2-hydroxy-3,5,7-bromocyclohepta-2,4,6-trienonato-κ^2^<i>O</i>,<i>O</i>')copper(I)
• Authors of publication: Barnard, Nicola I.; Hill, Tania N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1354 - m1355
• a: 15.4522 ± 0.0008 Å
• b: 13.9073 ± 0.0008 Å
• c: 19.3269 ± 0.001 Å
• α: 90°
• β: 103.862 ± 0.003°
• γ: 90°
• Cell volume: 4032.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes