Information card for entry 7125605

Structure parameters

• Formula: C50 H44 Cl8 N6 O26 Zn
• Calculated formula: C48 H30 N6 O14 Zn
• Title of publication: Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior.
• Authors of publication: Mukherjee, Gargi; Biradha, Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 670 - 672
• a: 10.321 ± 0.003 Å
• b: 18.735 ± 0.005 Å
• c: 17.405 ± 0.004 Å
• α: 90°
• β: 99.987 ± 0.007°
• γ: 90°
• Cell volume: 3314.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No