Information card for entry 7119019

Structure parameters

• Formula: C62 H89 Cl N4 O2 P2
• Calculated formula: C62 H89 Cl N4 O2 P2
• Title of publication: Protonation of carbene-stabilized diphosphorus: complexation of HP2+
• Authors of publication: Yuzhong Wang; Hunter P. Hickox; Yaoming Xie; Pingrong Wei; Dongtao Cui; Melody R. Walter; Henry F. Schaefer III; Gregory H. Robinson
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 5746
• a: 12.974 ± 0.003 Å
• b: 31.717 ± 0.007 Å
• c: 15.286 ± 0.003 Å
• α: 90°
• β: 95.96 ± 0.003°
• γ: 90°
• Cell volume: 6256 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1367
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No