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Information card for entry 7051194
Preview
| Coordinates | 7051194.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 |
|---|---|
| Calculated formula | C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 |
| SMILES | [P]([Ni](N=C=S)(N=C=S)[P]([c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[c]1([cH]6[cH]7[cH]8[cH]91)C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)([c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[c]1([cH]6[cH]7[cH]8[cH]91)C(=O)O)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Preparation and solid-state characterization of nickel(II) complexes with 1'-(diphenylphosphino)ferrocenecarboxylic acid |
| Authors of publication | Pinkas, Jiří; Bastl, Zdeněk; Šlouf, Miroslav; Podlaha, Jaroslav; Štěpnička, Petr |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2001 |
| Journal volume | 25 |
| Journal issue | 9 |
| Pages of publication | 1215 |
| a | 10.724 ± 0.001 Å |
| b | 11.0215 ± 0.0006 Å |
| c | 12.758 ± 0.001 Å |
| α | 73.832 ± 0.005° |
| β | 73.892 ± 0.004° |
| γ | 71.608 ± 0.004° |
| Cell volume | 1344.24 ± 0.18 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7051194.cif |
| 180065 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/11. |
7051194.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7051194.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7051194.cif |
| 3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7051194.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. |
7051194.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/' |
7051194.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7051194.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. |
7051194.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) |
7051194.cif |
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Users of the data should acknowledge the original authors of the
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