Information card for entry 7124130

Structure parameters

• Formula: C21 H18 N2 O4 Zn
• Calculated formula: C21 H18 N2 O4 Zn
• Title of publication: Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers
• Authors of publication: Lama, Prem; Hazra, Arpan; Barbour, Len
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.7441 ± 0.0032 Å
• b: 16.3205 ± 0.0045 Å
• c: 19.6453 ± 0.0054 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3765.4 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No