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Information card for entry 2014915
Preview
Coordinates | 2014915.cif |
---|---|
Structure factors | 2014915.hkl |
Original IUCr paper | HTML |
Common name | catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato] |
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Chemical name | catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato] |
Formula | C18 H16 Co N3 O2 S |
Calculated formula | C18 H16 Co N3 O2 S |
SMILES | C1CC[N]2=Cc3c(O[Co]42(N=C=S)Oc2c(cccc2)C=[N]14)cccc3 |
Title of publication | <i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato] |
Authors of publication | You, Zhong-Lu |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 6 |
Pages of publication | m295 - m297 |
a | 12.566 ± 0.007 Å |
b | 11.679 ± 0.007 Å |
c | 11.515 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1689.9 ± 1.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.1286 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/2014915.html
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Users of the data should acknowledge the original authors of the
structural data.