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Information card for entry 2016873
Preview
Coordinates | 2016873.cif |
---|---|
Structure factors | 2016873.hkl |
Original IUCr paper | HTML |
Chemical name | μ-4,4'-ethylenedicarboxylato-bis[acetatoaqua(dipyrido[3,2-a:2',3'- c]phenazine)zinc(II)] dihydrate |
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Formula | C56 H44 N8 O12 Zn2 |
Calculated formula | C56 H44 N8 O12 Zn2 |
SMILES | c1ccc2c3[n]1[Zn]1([OH2])([n]4c3c(ccc4)c3c2nc2ccccc2n3)(OC(=O)c2ccc(cc2)/C=C/c2ccc(C(=O)O[Zn]34([n]5cccc6c5c5c(ccc[n]35)c3nc5c(nc63)cccc5)([O]=C(O4)C)[OH2])cc2)[O]=C(O1)C.O.O |
Title of publication | Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates |
Authors of publication | Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 12 |
Pages of publication | m401 - m404 |
a | 13.1521 ± 0.0012 Å |
b | 11.9082 ± 0.0011 Å |
c | 15.9668 ± 0.0015 Å |
α | 90° |
β | 98.391 ± 0.002° |
γ | 90° |
Cell volume | 2473.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0863 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2016873.html
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