Information card for entry 7118541

Structure parameters

• Formula: C22 H20 N2 O7 Zn
• Calculated formula: C22 H20 N2 O7 Zn
• Title of publication: Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.
• Authors of publication: Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3231 - 3234
• a: 19.1195 ± 0.0009 Å
• b: 7.8491 ± 0.0004 Å
• c: 13.7716 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2066.72 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No