Information card for entry 7043509

Structure parameters

• Formula: C38 H55 Cl2 F N5 O2
• Calculated formula: C38 H55 Cl2 F N5 O2
• Title of publication: Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold
• Authors of publication: Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.6122 ± 0.0006 Å
• b: 19.0787 ± 0.0019 Å
• c: 21.6748 ± 0.0017 Å
• α: 90°
• β: 91.739 ± 0.006°
• γ: 90°
• Cell volume: 3973.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No