Information card for entry 4340939

Structure parameters

• Formula: C34 H48 Cl2 N4 O20 Zn3
• Calculated formula: C34 H40 Cl2 N4 O22 Zn3
• SMILES: [Zn]123([O]4[Zn]56([O](c7cccc(C=[N]3Cc3[n]2cccc3)c47)CC)([O]2[Zn]3([O]=C(O6)C)([OH2])[n]4ccccc4C[N]3=Cc3cccc([O]5CC)c23)[O]=C(O1)C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.
• Authors of publication: Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9625 - 9632
• a: 12.767 ± 0.003 Å
• b: 13.004 ± 0.003 Å
• c: 16.143 ± 0.004 Å
• α: 69.312 ± 0.003°
• β: 67.999 ± 0.003°
• γ: 80.74 ± 0.004°
• Cell volume: 2323.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No