Information card for entry 4516618

Structure parameters

• Formula: C53.25 H44 Cl9 Cr3 N10.5 O44.92
• Calculated formula: C54 H44 Cl9.01 Cr3 N10.5 O45.67
• Title of publication: Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials.
• Authors of publication: Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 42
• Pages of publication: 28424 - 28427
• a: 15.2032 ± 0.0006 Å
• b: 15.2032 ± 0.0006 Å
• c: 46.09 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9225.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2833
• Weighted residual factors for all reflections included in the refinement: 0.3143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No