Information card for entry 7028229

Structure parameters

• Formula: C40 H38 Cd F6 N2 O6
• Calculated formula: C40 H38 Cd F6 N2 O6
• SMILES: FC(F)(F)C1=[O][Cd]2(OC(=C1)c1ccc3n(CCCC)c4c(c3c1)cccc4)([OH2])([OH2])OC(=CC(=[O]2)C(F)(F)F)c1ccc2n(CCCC)c3c(c2c1)cccc3
• Title of publication: Two novel six-coordinated cadmium(II) and zinc(II) complexes from carbazate β-diketonate: crystal structures, enhanced two-photon absorption and biological imaging application.
• Authors of publication: Nie, Cuiyun; Zhang, Qiong; Ding, Hongjuan; Huang, Bei; Wang, Xinyan; Zhao, Xianghua; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 599 - 608
• a: 39.6711 ± 0.0009 Å
• b: 5.3418 ± 0.0001 Å
• c: 20.25 ± 0.0005 Å
• α: 90°
• β: 104.292 ± 0.002°
• γ: 90°
• Cell volume: 4158.47 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No