Information card for entry 1515665

Structure parameters

• Formula: C57 H60 B F20 N2 O2 P Zr
• Calculated formula: C57 H60 B F20 N2 O2 P Zr
• SMILES: [Zr]12345678([O]=NN=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)(OC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes
• Authors of publication: Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 170
• a: 36.218 ± 0.007 Å
• b: 12.304 ± 0.003 Å
• c: 31.224 ± 0.01 Å
• α: 90°
• β: 122.397 ± 0.005°
• γ: 90°
• Cell volume: 11749 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1266
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No