Information card for entry 7219743

Structure parameters

• Formula: C48 H32 Cd2 Cl4 N12
• Calculated formula: C48 H32 Cd2 Cl4 N12
• SMILES: c1[n]2c(c3[n]4c(c5cccc[n]5[Cd]524(Cl)[Cl][Cd]24([n]6ccccc6c6[n]2c(c2cccc[n]42)c(nc6c2ncccc2)c2ncccc2)(Cl)[Cl]5)c(nc3c2ncccc2)c2ncccc2)ccc1
• 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: 9.471 ± 0.005 Å
• b: 10.437 ± 0.006 Å
• c: 13.576 ± 0.008 Å
• α: 72.174 ± 0.007°
• β: 78.698 ± 0.007°
• γ: 81.504 ± 0.007°
• Cell volume: 1247.2 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No