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Information card for entry 1100168
Preview
| Coordinates | 1100168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Br2 N8 O4 Pd |
|---|---|
| Calculated formula | C14 H12 Br2 N8 O4 Pd |
| SMILES | [Pd](Br)(Br)([n]1ccnc2N(C)C(=O)NC(=O)c12)[n]1ccnc2N(C)C(=O)NC(=O)c12 |
| Authors of publication | Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros |
| Journal of publication | Polyhedron |
| Year of publication | 2003 |
| Journal volume | 22 |
| Pages of publication | 483 - 488 |
| a | 6.5185 ± 0.0009 Å |
| b | 7.5119 ± 0.0011 Å |
| c | 10.7736 ± 0.0009 Å |
| α | 94.351 ± 0.01° |
| β | 106.036 ± 0.008° |
| γ | 109.334 ± 0.014° |
| Cell volume | 470.21 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.1998 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100168.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100168.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100168.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100168.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100168.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100168.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100168.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100168.cif |
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Users of the data should acknowledge the original authors of the
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