Information card for entry 7057115

Structure parameters

• Formula: C74 H78 Cd2 N14 O8
• Calculated formula: C74 H78 Cd2 N14 O8
• 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: 14.18 ± 0.009 Å
• b: 15.386 ± 0.008 Å
• c: 18.466 ± 0.012 Å
• α: 101.133 ± 0.019°
• β: 92.04 ± 0.03°
• γ: 92.143 ± 0.019°
• Cell volume: 3946 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No