Information card for entry 7229869

Structure parameters

• Formula: C12 H17 N3 O7 Zn
• Calculated formula: C12 H17 N3 O7 Zn
• Title of publication: Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars
• Authors of publication: Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 432
• a: 7.1206 ± 0.0002 Å
• b: 30.8546 ± 0.0013 Å
• c: 7.4367 ± 0.0002 Å
• α: 90°
• β: 90.534 ± 0.003°
• γ: 90°
• Cell volume: 1633.8 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No