Information card for entry 7016528

Structure parameters

• Formula: C37 H28 Cd I2 N4 S
• Calculated formula: C37 H28 Cd I2 N4 S
• SMILES: I[Cd]12(I)[n]3ccccc3c3cc(cc([n]13)c1[n]2cccc1)c1ccc(cc1)/C=C/c1cc(c2cc1)Sc1c(N2CC)cccc1
• Title of publication: Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes.
• Authors of publication: Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8170 - 8178
• a: 19.953 ± 0.005 Å
• b: 13.943 ± 0.005 Å
• c: 27.347 ± 0.005 Å
• α: 90 ± 0.005°
• β: 106.629 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7290 ± 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: 0.1858
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No