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Information card for entry 2211825
Preview
Coordinates | 2211825.cif |
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Structure factors | 2211825.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ-benzene-1,4- dicarboxylato] dipyrido[3,2-a:2',3'-c]phenazine 0.67-solvate] |
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Formula | C114 H62 N20 O12 Zn3 |
Calculated formula | C114 H62 N20 O12 Zn3 |
SMILES | [Zn]12([n]3c4c5[n]1cccc5c1nc5c(nc1c4ccc3)cccc5)[O]=C(O2)c1ccc(cc1)C1=[O][Zn]23(O1)([n]1c4c5[n]3cccc5c3nc5c(nc3c4ccc1)cccc5)[O]=C(O2)c1ccc(cc1)C(=O)[O-].n1c2c(c3nc4c(nc3c3c2nccc3)cccc4)ccc1 |
Title of publication | <i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ-benzene-1,4-dicarboxylato] dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine 0.67-solvate] |
Authors of publication | Chuan-Bi Li; Wei Fang; En-Jie Dong; Bo Liu; Yan-Wei Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | m150 - m152 |
a | 18.474 ± 0.002 Å |
b | 28.718 ± 0.004 Å |
c | 19.019 ± 0.002 Å |
α | 90° |
β | 116.092 ± 0.002° |
γ | 90° |
Cell volume | 9062 ± 1.9 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1654 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.0661 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.708 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2211825.html
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