Information card for entry 1515671

Structure parameters

• Formula: C42 H43 B F15 N2 O P Zr
• Calculated formula: C42 H43 B F15 N2 O P Zr
• SMILES: [Zr]12345678(ON=N[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([cH]9[cH]1[cH]3[cH]2[cH]89)([cH]1[cH]7[cH]4[cH]6[cH]51)C.Fc1c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C)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: 15.6655 ± 0.0007 Å
• b: 12.5681 ± 0.0006 Å
• c: 21.5094 ± 0.001 Å
• α: 90°
• β: 93.812 ± 0.002°
• γ: 90°
• Cell volume: 4225.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.1077
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No