Information card for entry 7219739

Structure parameters

• Formula: C18 H14 Cd Cl2 N4
• Calculated formula: C18 H14 Cd Cl2 N4
• SMILES: [Cd]12(Cl)(Cl)[n]3ccccc3Cc3[n]1c(n1c3cccc1)c1[n]2cccc1
• Title of publication: A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base
• Authors of publication: Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.5805 ± 0.0012 Å
• b: 17.674 ± 0.003 Å
• c: 13.27 ± 0.002 Å
• α: 90°
• β: 90.756 ± 0.002°
• γ: 90°
• Cell volume: 1777.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No