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Information card for entry 4316060
Preview
| Coordinates | 4316060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H17 Cu N5 O |
|---|---|
| Calculated formula | C12 H17 Cu N5 O |
| SMILES | [Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)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 | 11.783 ± 0.004 Å |
| b | 19.194 ± 0.005 Å |
| c | 12.154 ± 0.003 Å |
| α | 90° |
| β | 94.96 ± 0.02° |
| γ | 90° |
| Cell volume | 2738.5 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.2663 |
| Residual factor for significantly intense reflections | 0.1043 |
| Weighted residual factors for significantly intense reflections | 0.2023 |
| Weighted residual factors for all reflections included in the refinement | 0.2369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.811 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179240 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60. |
4316060.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316060.cif |
| 48986 | 2012-03-27 | hkl/4 Adding a Fobs file |
4316060.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316060.cif |
| 9235 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316060 via cif-deposit CGI script. |
4316060.cif |
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Users of the data should acknowledge the original authors of the
structural data.