Information card for entry 7219038

Structure parameters

• Chemical name: PCN-518
• Formula: C224 H128 Cd12 O64 Si8
• Calculated formula: C224 H128 Cd12 O64 Si8
• Title of publication: Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks
• Authors of publication: Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 996
• a: 26.567 ± 0.005 Å
• b: 14.332 ± 0.003 Å
• c: 25.354 ± 0.007 Å
• α: 90°
• β: 119.2 ± 0.002°
• γ: 90°
• Cell volume: 8427 ± 3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No