Information card for entry 4519130

Structure parameters

• Formula: C46 H50 N2 O8
• Calculated formula: C46 H50 N2 O8
• Title of publication: Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO₂ Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.
• Authors of publication: Seal, Nilanjan; Neogi, Subhadip
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 46
• Pages of publication: 55123 - 55135
• a: 8.8163 ± 0.0006 Å
• b: 9.9332 ± 0.0007 Å
• c: 11.4002 ± 0.0009 Å
• α: 90°
• β: 95.616 ± 0.003°
• γ: 90°
• Cell volume: 993.57 ± 0.13 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No