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Information card for entry 7203108
Preview
| Coordinates | 7203108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii) |
|---|---|
| Chemical name | Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii) |
| Formula | C28 H20 Cu2 N4 O18 |
| Calculated formula | C28 H20 Cu2 N4 O18 |
| SMILES | C1(c2ccccc2N(=O)=O)=[O][Cu]234([O]=C(c5ccccc5N(=O)=O)O[Cu]3([O]=C(c3ccccc3N(=O)=O)O2)(O1)([OH2])[O]=C(c1ccccc1N(=O)=O)O4)[OH2] |
| Title of publication | Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>) |
| Authors of publication | Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Pages of publication | 41 - 50 |
| a | 7.534 ± 0.002 Å |
| b | 13.411 ± 0.004 Å |
| c | 15.404 ± 0.004 Å |
| α | 90° |
| β | 97.101 ± 0.005° |
| γ | 90° |
| Cell volume | 1544.5 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoK\α |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180362 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/31. |
7203108.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203108.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203108.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203108.cif |
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