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Information card for entry 4342023
Preview
Coordinates | 4342023.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H58 Br2 Cl4 N6 O6 Zn3 |
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Calculated formula | C56 H58 Br2 Cl4 N6 O6 Zn3 |
SMILES | [Zn]123(Br)[N]4(Cc5c6c(C=[N]7[Zn]89([N](=Cc%10c(c(CN(Cc%11c%12c(C=[N]%13[Zn]%14([N](=Cc%15c(c(cc(c%15)Cl)C4)[O]1%14)CCC%13)([OH]%12)[O]39)cc(c%11)Cl)CCc1ccccc1)cc(c%10)Cl)[OH]8)CCC7)[O]26)cc(c5)Cl)CCc1ccccc1.[Br-].C(C)O |
Title of publication | Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template. |
Authors of publication | Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 2 |
Pages of publication | 675 - 681 |
a | 13.8678 ± 0.0011 Å |
b | 14.6941 ± 0.0012 Å |
c | 15.942 ± 0.0013 Å |
α | 77.562 ± 0.001° |
β | 68.266 ± 0.001° |
γ | 87.571 ± 0.001° |
Cell volume | 2944.3 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1448 |
Weighted residual factors for all reflections included in the refinement | 0.1776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4342023.html
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Users of the data should acknowledge the original authors of the
structural data.