Information card for entry 1561829

Structure parameters

• Formula: C22 H14 N2 O4 S2 Zn
• Calculated formula: C22 H14 N2 O4 S2 Zn
• 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: 11.1182 ± 0.0008 Å
• b: 11.2423 ± 0.0009 Å
• c: 11.6976 ± 0.0009 Å
• α: 65.31 ± 0.002°
• β: 74.889 ± 0.002°
• γ: 72.067 ± 0.002°
• Cell volume: 1249.08 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0868
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No