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Information card for entry 2216484
Preview
Coordinates | 2216484.cif |
---|---|
Structure factors | 2216484.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]-μ-benzene- 1,4-dicarboxylato] |
---|---|
Formula | C26 H16 Co N4 O5 |
Calculated formula | C26 H16 Co N4 O5 |
SMILES | [Co]12([OH2])([n]3c4c(c5nc6c(nc5c5c4[n]2ccc5)cccc6)ccc3)OC(=[O]1)c1ccc(cc1)C1=[O][Co]2(O1)([OH2])([n]1c3c(c4nc5c(nc4c4c3[n]2ccc4)cccc5)ccc1)OC(=O)c1ccc(cc1)C(=O)O[Co]12([OH2])([n]3c4c(c5nc6c(nc5c5c4[n]2ccc5)cccc6)ccc3)OC(=[O]1)c1ccc(cc1)C1=[O][Co]2(O1)([OH2])([n]1c3c(c4nc5c(nc4c4c3[n]2ccc4)cccc5)ccc1)OC(=O)c1ccc(cc1)C(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[aqua(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-benzene-1,4-dicarboxylato] |
Authors of publication | Fang-Wei; Ze-Min Mei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 12 |
Pages of publication | m3098 - m3099 |
a | 10.5218 ± 0.0019 Å |
b | 11.742 ± 0.002 Å |
c | 18.077 ± 0.003 Å |
α | 90° |
β | 101.281 ± 0.004° |
γ | 90° |
Cell volume | 2190.2 ± 0.7 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 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 | 0.0929 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
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/2216484.html
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