Information card for entry 7043507

Structure parameters

• Formula: C154 H226 Cl8 N20 O16
• Calculated formula: C154 H222 Cl8 N20 O16
• 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: 28.8876 ± 0.0014 Å
• b: 23.264 ± 0.0009 Å
• c: 24.7611 ± 0.0011 Å
• α: 90°
• β: 97.383 ± 0.004°
• γ: 90°
• Cell volume: 16502.5 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.28
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.3864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No