Information card for entry 4515044

Structure parameters

• Formula: C5 H4 Cl Cu N
• Calculated formula: C5 H4 Cl Cu N
• Title of publication: Cu(II) MOFs Based on Bipyridyls: Topology, Magnetism, and Exploring Sensing Ability toward Multiple Nitroaromatic Explosives.
• Authors of publication: Ahamad, M. Naqi; Shahid, M.; Ahmad, Musheer; Sama, Farasha
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 7738 - 7749
• a: 3.7495 ± 0.0008 Å
• b: 12.724 ± 0.002 Å
• c: 11.322 ± 0.0018 Å
• α: 90°
• β: 93.668 ± 0.005°
• γ: 90°
• Cell volume: 539.05 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No