Information card for entry 1568889

Structure parameters

• Formula: C12 H18 N4 O4 Zn
• Calculated formula: C12 H18 N4 O4 Zn
• Title of publication: N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions
• Authors of publication: Sahoo, Sangita; Manna, Subarna; Rit, Arnab
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3344 - 3350
• a: 9.374 ± 0.002 Å
• b: 8.2061 ± 0.0018 Å
• c: 10.172 ± 0.002 Å
• α: 90°
• β: 90.621 ± 0.01°
• γ: 90°
• Cell volume: 782.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No