Information card for entry 1561831

Structure parameters

• Formula: C54 H33 Cd2 N6 O10 S6
• Calculated formula: C54 H33 Cd2 N6 O10 S6
• Title of publication: Unraveling the multi-functional behavior in a series of Metal Organic Frameworks
• Authors of publication: Sanda, Suresh; Biswas, Soumava; Parshamoni, Srinivasulu; Konar, Sanjit
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 229
• Pages of publication: 103 - 111
• a: 12.219 ± 0.005 Å
• b: 12.815 ± 0.006 Å
• c: 20.585 ± 0.008 Å
• α: 95.187 ± 0.006°
• β: 92.184 ± 0.006°
• γ: 105.724 ± 0.005°
• Cell volume: 3083 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0657
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No