Information card for entry 7124139

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: 8.3498 ± 0.0003 Å
• b: 21.572 ± 0.0008 Å
• c: 9.4328 ± 0.0003 Å
• α: 90°
• β: 109.338 ± 0.001°
• γ: 90°
• Cell volume: 1603.2 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No