Information card for entry 7229868

Structure parameters

• Formula: C12 H17 Cd N3 O7
• Calculated formula: C12 H17 Cd N3 O7
• 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: 31.0771 ± 0.0015 Å
• b: 7.1271 ± 0.0004 Å
• c: 7.6076 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No