Information card for entry 4350796

Structure parameters

• Formula: C22 H42 Cl N2 P2 Re
• Calculated formula: C22 H42 Cl 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: 11.8668 ± 0.0003 Å
• b: 14.5601 ± 0.0004 Å
• c: 14.8307 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2562.47 ± 0.13 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No