Information card for entry 7000516

Structure parameters

• Common name: (Co2Cl4(2,3-trans-dppcbO2))
• Chemical name: [Co2Cl4(2,3-trans-dppcbO2)]
• Formula: C54 H48 Cl8 Co2 O2 P4
• Calculated formula: C54 H48 Cl8 Co2 O2 P4
• SMILES: [C@@H]12[C@@H]([P](c3ccccc3)(c3ccccc3)[Co]([O]=P1(c1ccccc1)c1ccccc1)(Cl)Cl)[C@H]1[C@@H]2P(=[O][Co]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[C@H]12[C@H]([P](c3ccccc3)(c3ccccc3)[Co]([O]=P1(c1ccccc1)c1ccccc1)(Cl)Cl)[C@@H]1[C@H]2P(=[O][Co]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Regio- and chemoselective oxidation of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane via cobalt(II) mediated dioxygen activation
• Authors of publication: Fessler, Markus; Eller, Sylvia; Bachmann, Christian; Gutmann, Rene; Trettenbrein, Barbara; Kopacka, Holger; Mueller, Thomas; Brueggeller, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1383
• a: 21.0368 ± 0.0005 Å
• b: 21.999 ± 0.0007 Å
• c: 13.8403 ± 0.0004 Å
• α: 90°
• β: 120.209 ± 0.001°
• γ: 90°
• Cell volume: 5535.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No