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Information card for entry 1512409
Preview
Coordinates | 1512409.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H13 Cu N5 O3 |
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Calculated formula | C12 H13 Cu N5 O3 |
SMILES | [Cu]12([n]3c(C=[N]1c1ccccc1O2)cccc3)N=N#N.O.O |
Title of publication | Synthesis and characterization of square planar and square pyramidal copper(II) compounds with tridentate Schiff bases: Formation of a molecular zipper via H-bonding interaction |
Authors of publication | Prasanta Kumar Bhaumik; Subrata Jana; Shouvik Chattopadhyay |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2012 |
Journal volume | 390 |
Pages of publication | 167 - 177 |
a | 10.2111 ± 0.0003 Å |
b | 6.6366 ± 0.0002 Å |
c | 20.8098 ± 0.0005 Å |
α | 90° |
β | 101.851 ± 0.002° |
γ | 90° |
Cell volume | 1380.16 ± 0.07 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 | 0.0412 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1512409.html
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