Information card for entry 7219746

Structure parameters

• Formula: C37 H31 Cd2 Cl4 N8 O
• Calculated formula: C37 H31 Cd2 Cl4 N8 O
• SMILES: [Cd]12(Cl)(Cl)[n]3ccccc3[C@H](c3[n]1c(n1c3cccc1)c1[n]2cccc1)[C@@H]1c2[n]([Cd]3(Cl)(Cl)[n]4c1c1n(cccc1)c4c1[n]3cccc1)cccc2.OC.[Cd]12(Cl)(Cl)[n]3ccccc3[C@@H](c3[n]1c(n1c3cccc1)c1[n]2cccc1)[C@H]1c2[n]([Cd]3(Cl)(Cl)[n]4c1c1n(cccc1)c4c1[n]3cccc1)cccc2.OC
• 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: 24.137 ± 0.004 Å
• b: 15.255 ± 0.004 Å
• c: 23.41 ± 0.006 Å
• α: 90°
• β: 114.065 ± 0.005°
• γ: 90°
• Cell volume: 7871 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No