Information card for entry 7219037

Structure parameters

• Chemical name: PCN-514-DMA complex
• Formula: C80 H90 Cd4 N6 O24 Si2
• Calculated formula: C80 H90 Cd4 N6 O24 Si2
• 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: 14.097 ± 0.0019 Å
• b: 14.2015 ± 0.0019 Å
• c: 14.2649 ± 0.0019 Å
• α: 115.663 ± 0.001°
• β: 113.627 ± 0.001°
• γ: 97.603 ± 0.002°
• Cell volume: 2190.6 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No