Information card for entry 7131255

Structure parameters

• Formula: C13 H18 Cl N3 O0.25 Zn
• Calculated formula: C12 H17 Cl N2 O2 Zn
• Title of publication: Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks
• Authors of publication: Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh
• Journal of publication: Chemical Communications
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2608 - 2611
• a: 6.9868 ± 0.0002 Å
• b: 13.2624 ± 0.0004 Å
• c: 16.4698 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.12 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0287
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No