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Information card for entry 4509324
Preview
Coordinates | 4509324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H82 N16 O10 S2 Zn |
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Calculated formula | C78 H82 N16 O10 S2 Zn |
SMILES | c12c(cccc2)n(c(/C(=N/N=C(C)/c2nc3ccccc3n2Cc2cccnc2)C)n1)Cc1ccc[n](c1)[Zn]([OH]CC)([OH2])([n]1cccc(Cn2c3c(cccc3)nc2/C(C)=N/N=C(C)/c2nc3ccccc3n2Cc2cccnc2)c1)([OH]CC)[OH2].O=S(=O)(c1ccc(cc1)C)[O-].O=S(=O)([O-])c1ccc(cc1)C |
Title of publication | Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups |
Authors of publication | Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 5 |
Pages of publication | 2341 |
a | 8.581 ± 0.0003 Å |
b | 26.8527 ± 0.0009 Å |
c | 16.1384 ± 0.0005 Å |
α | 90° |
β | 103.044 ± 0.004° |
γ | 90° |
Cell volume | 3622.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4509324.html
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