Information card for entry 1575113

Structure parameters

• Formula: C18 H27 Cl N2 O7 Zn2
• Calculated formula: C18 H27 Cl N2 O7 Zn2
• Title of publication: The interplay between coordination and non-covalent interactions in three zinc coordination polymers
• Authors of publication: Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 33
• Pages of publication: 5583 - 5594
• a: 9.4593 ± 0.0015 Å
• b: 19.398 ± 0.003 Å
• c: 12.964 ± 0.002 Å
• α: 90°
• β: 108.532 ± 0.005°
• γ: 90°
• Cell volume: 2255.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No