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Information card for entry 7116075
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| Coordinates | 7116075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37.5 H30.51 Au2 Na2 Ni O12 P2 S2 |
|---|---|
| Calculated formula | C36 H34 Au2 Na2 Ni O10 P2 S2 |
| SMILES | [Au]([S]1[Ni]234([S]5[C@H](C(=O)O4)CC(=O)O2)OC(=O)[C@@H]1CC(=O)O3)[P](CC[P]([Au]5)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Na+].[Na+].OC.OC |
| Title of publication | Proton-controlled formation and interconversion of AuI2NiII trinuclear and AuI4NiII3 heptanuclear complexes with mixed thiomalate and bis(diphenylphosphino)ethane |
| Authors of publication | Kosuke Igawa; Nobuto Yoshinari; Takumi Konno |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 15573 |
| a | 17.848 ± 0.003 Å |
| b | 21.586 ± 0.003 Å |
| c | 33.891 ± 0.003 Å |
| α | 90° |
| β | 106.314 ± 0.01° |
| γ | 90° |
| Cell volume | 12531 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2113 |
| Residual factor for significantly intense reflections | 0.1771 |
| Weighted residual factors for significantly intense reflections | 0.5102 |
| Weighted residual factors for all reflections included in the refinement | 0.524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.822 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290444 (current) | 2024-03-12 | cif/7: Fixing Z values and formulae |
7116075.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7116075.cif |
| 180274 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60. |
7116075.cif |
| 129000 | 2014-12-22 | cif/ Adding structures of 7116075 via cif-deposit CGI script. |
7116075.cif |
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