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Information card for entry 7006956
Preview
| Coordinates | 7006956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H18 F12 N6 P2 Rh S6 |
|---|---|
| Calculated formula | C30 H18 F12 N6 P2 Rh S6 |
| SMILES | c12cccc3[n]1[Rh]145([n]6c(cccc6sc6cccc(s3)[n]56)s2)[n]2c3cccc2sc2cccc([n]42)sc2cccc([n]12)s3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect. |
| Authors of publication | Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 11 |
| Pages of publication | 1374 - 1376 |
| a | 11.487 ± 0.003 Å |
| b | 20.884 ± 0.005 Å |
| c | 7.724 ± 0.002 Å |
| α | 90° |
| β | 103.777 ± 0.005° |
| γ | 90° |
| Cell volume | 1799.6 ± 0.8 Å3 |
| Cell temperature | 193.1 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.7107 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. |
7006956.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7006956.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006956.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006956.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006956.cif |
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