Information card for entry 7000523

Structure parameters

• Common name: (Co2I4(dppcbO4))
• Chemical name: [Co2I4(dppcbO4)]
• Formula: C54 H48 Cl4 Co2 I4 O4 P4
• Calculated formula: C54 H48 Cl4 Co2 I4 O4 P4
• SMILES: [Co]1(I)(I)[O]=P(C2C(P(=[O]1)(c1ccccc1)c1ccccc1)C1P(=[O][Co](I)(I)[O]=P(C21)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• 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: 14.4421 ± 0.0002 Å
• b: 20.143 ± 0.0002 Å
• c: 21.5066 ± 0.0003 Å
• α: 90°
• β: 101.503 ± 0.0007°
• γ: 90°
• Cell volume: 6130.77 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No