Information card for entry 7124136

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: 8.3338 ± 0.0002 Å
• b: 21.5667 ± 0.0005 Å
• c: 9.4299 ± 0.0002 Å
• α: 90°
• β: 109.248 ± 0.001°
• γ: 90°
• Cell volume: 1600.12 ± 0.06 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No