Information card for entry 7125604

Structure parameters

• Formula: C52 H52 Cd Cl6 F12 N6 O20 P2
• Calculated formula: C52 H32 Cd Cl6 F12 N6 O20 P2
• 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: 10.3591 ± 0.0004 Å
• b: 19.0085 ± 0.0008 Å
• c: 16.9399 ± 0.0007 Å
• α: 90°
• β: 101.516 ± 0.001°
• γ: 90°
• Cell volume: 3268.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2834
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 2.526
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No