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Information card for entry 7025714
Preview
Coordinates | 7025714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H28 N12 O10 Zn2 |
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Calculated formula | C44 H28 N12 O10 Zn2 |
SMILES | c1ccc2c3c4c(cc2)ccc[n]4[Zn]2([n]13)([OH2])Oc1n[nH]c(=O)c3c1cc1c(c(n[nH]c1=O)O[Zn]1([n]4c5c6c(ccc[n]16)ccc5ccc4)([OH2])Oc1n[nH]c(=O)c4cc5c(n[nH]c(=O)c5cc14)O2)c3 |
Title of publication | Fluorescent metal-organic polymers of zinc and cadmium from hydrothermal in situ acylation reaction. |
Authors of publication | Yu, Xiao-Yang; Ye, Ling; Zhang, Xiao; Cui, Xiao-Bing; Zhang, Jian-Po; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 44 |
Pages of publication | 10617 - 10625 |
a | 8.5883 ± 0.0017 Å |
b | 9.79 ± 0.002 Å |
c | 11.659 ± 0.002 Å |
α | 81.66 ± 0.03° |
β | 83.69 ± 0.03° |
γ | 80.09 ± 0.03° |
Cell volume | 951.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1041 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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