Information card for entry 7203639

Structure parameters

• Formula: C16 H17 Cl3 N4 O5 Zn
• Calculated formula: C16 H17 Cl3 N4 O5 Zn
• Title of publication: Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions
• Authors of publication: Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 805
• a: 9.2135 ± 0.0016 Å
• b: 12.441 ± 0.002 Å
• c: 19.292 ± 0.003 Å
• α: 90°
• β: 95.447 ± 0.004°
• γ: 90°
• Cell volume: 2201.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No