Information card for entry 7227418

Structure parameters

• Formula: C81 H68 Cl2 N4 O10 P4 Re2
• Calculated formula: C81 H68 Cl2 N4 O10 P4 Re2
• Title of publication: Lewis Acid stabilization and Activation of Primary N-Nitrosamides
• Authors of publication: Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott
• Journal of publication: RSC Adv.
• Year of publication: 2017
• a: 11.1714 ± 0.0007 Å
• b: 46.877 ± 0.003 Å
• c: 17.9886 ± 0.0008 Å
• α: 90°
• β: 128.081 ± 0.003°
• γ: 90°
• Cell volume: 7415.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No