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Information card for entry 7004419
Preview
| Coordinates | 7004419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H76 B2 N8 O2 Pt |
|---|---|
| Calculated formula | C60 H76 B2 N8 O2 Pt |
| SMILES | [Pt]([NH3])([NH3])([NH]=C(N)N(C)C)[NH]=C(N)N(C)C.O=C(C)C.O=C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Facile cyanamide–ammonia coupling mediated by cis- and trans-[PtIIL2] centers and giving metal-bound guanidines |
| Authors of publication | Tyan, Marina R.; Bokach, Nadezhda A.; Wang, Meng-Jiy; Haukka, Matti; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 38 |
| Pages of publication | 5178 - 5188 |
| a | 11.1727 ± 0.0007 Å |
| b | 21.6856 ± 0.0014 Å |
| c | 23.505 ± 0.0016 Å |
| α | 93.241 ± 0.003° |
| β | 95.434 ± 0.004° |
| γ | 90.226 ± 0.004° |
| Cell volume | 5660 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1439 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7004419.cif |
| 179748 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44. |
7004419.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004419.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004419.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004419.cif |
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Users of the data should acknowledge the original authors of the
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