Information card for entry 7124140

Structure parameters

• Formula: C32 H29 N3 O9 Zn2
• Calculated formula: C32 H29 N3 O9 Zn2
• 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: 8.2872 ± 0.0003 Å
• b: 21.5164 ± 0.0011 Å
• c: 9.4099 ± 0.0004 Å
• α: 90°
• β: 109.039 ± 0.001°
• γ: 90°
• Cell volume: 1586.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No