Information card for entry 1562418

Structure parameters

• Chemical name: Z-3-chloro-3-(2-thienyl)-2-propenenitrile
• Formula: C7 H4 Cl N S
• Calculated formula: C7 H4 Cl N S
• Title of publication: Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.
• Authors of publication: Fucci, Rosa; Vande Velde, Christophe M. L.
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 231
• Journal issue: 0
• Pages of publication: 97 - 111
• a: 5.802 ± 0.0006 Å
• b: 8.7244 ± 0.001 Å
• c: 15.004 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 759.49 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No