Information card for entry 7057113

Structure parameters

• Formula: C66 H66 Cd Cl2 N14
• Calculated formula: C66 H66 Cd Cl2 N14
• Title of publication: Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand
• Authors of publication: Zhang, Zongyao; Xu, Lijin; Cao, Rui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5593
• a: 13.094 ± 0.003 Å
• b: 13.094 ± 0.003 Å
• c: 37.435 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5558 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No