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Information card for entry 4316059
Preview
| Coordinates | 4316059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H17 Cu N5 O |
|---|---|
| Calculated formula | C12 H17 Cu N5 O |
| SMILES | [Cu]12([N](=C(c3c(O1)cccc3)C)CC[N]2(C)C)N=N#N |
| Title of publication | A Unique Example of Structural and Magnetic Diversity in Four Interconvertible Copper(II)-Azide Complexes with the Same Schiff Base Ligand: A Monomer, a Dimer, a Chain, and a Layer |
| Authors of publication | Subrata Naiya; Chaitali Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Juan M. Clemente-Juan; Ashutosh Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 6616 - 6627 |
| a | 19.635 ± 0.003 Å |
| b | 12.1944 ± 0.0015 Å |
| c | 12.111 ± 0.002 Å |
| α | 90° |
| β | 107.058 ± 0.018° |
| γ | 90° |
| Cell volume | 2772.3 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1267 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.2386 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4316059.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316059.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316059.cif |
| 9234 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316059 via cif-deposit CGI script. |
4316059.cif |
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Users of the data should acknowledge the original authors of the
structural data.