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Information card for entry 7007966
Preview
| Coordinates | 7007966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H48 B2 K2 N12 O2 |
|---|---|
| Calculated formula | C50 H48 B2 K2 N12 O2 |
| SMILES | [BH](n1ccc2cccnc12)(n1ccc2c1nccc2)n1ccc2cccnc12.[K][O]1CCCC1 |
| Title of publication | Cu(I) and Zn(II) complexes of 7-azaindole-containing scorpionates: structures, luminescence and fluxionality. |
| Authors of publication | Song, Datong; Jia, Wen Li; Wu, Gang; Wang, Suning |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 3 |
| Pages of publication | 433 - 438 |
| a | 10.24 ± 0.006 Å |
| b | 10.399 ± 0.006 Å |
| c | 12.075 ± 0.007 Å |
| α | 109.01 ± 0.014° |
| β | 97.068 ± 0.011° |
| γ | 96.52 ± 0.014° |
| Cell volume | 1190.2 ± 1.2 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 | 0.1042 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.773 |
| 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. |
7007966.cif |
| 179783 | 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 7/00/79. |
7007966.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007966.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007966.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007966.cif |
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Users of the data should acknowledge the original authors of the
structural data.