Information card for entry 4350794

Structure parameters

• Formula: C30.5 H51 Cl2 N2 P2 Re
• Calculated formula: C30.5 H51 Cl2 N2 P2 Re
• Title of publication: Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.
• Authors of publication: Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2021
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 6115 - 6124
• a: 19.5539 ± 0.0004 Å
• b: 12.7308 ± 0.0002 Å
• c: 28.3182 ± 0.0007 Å
• α: 90°
• β: 108.978 ± 0.003°
• γ: 90°
• Cell volume: 6666.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No