Information card for entry 7219747

Structure parameters

• Formula: C36 H26 Cd2 Cl4 N8
• Calculated formula: C36 H26 Cd2 Cl4 N8
• SMILES: c1cccc2[n]1[Cd]1([n]3c2n2ccccc2c3[C@@H]([C@H]2c3[n]4c(c5cccc[n]5[Cd]4([n]4c2cccc4)(Cl)Cl)n2ccccc32)c2[n]1cccc2)(Cl)Cl
• 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: 9.617 ± 0.015 Å
• b: 9.698 ± 0.016 Å
• c: 10.175 ± 0.016 Å
• α: 89.54 ± 0.03°
• β: 79.24 ± 0.02°
• γ: 86.21 ± 0.03°
• Cell volume: 930 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No