Information card for entry 7706626

Structure parameters

• Formula: C65 H68 B2 F20 O2 P2
• Calculated formula: C65 H68 B2 F20 O2 P2
• SMILES: [B]1(OC(=[O][B](CC[PH2+]c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)P(CC1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.
• Authors of publication: Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 3523 - 3528
• a: 11.4236 ± 0.0005 Å
• b: 18.8115 ± 0.0009 Å
• c: 19.758 ± 0.0008 Å
• α: 109.926 ± 0.002°
• β: 104.169 ± 0.002°
• γ: 91.101 ± 0.002°
• Cell volume: 3845.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No