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Information card for entry 7052716
Preview
| Coordinates | 7052716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H88 N8 O4 Rh4 |
|---|---|
| Calculated formula | C62 H88 N8 O4 Rh4 |
| SMILES | c12ccn3[n]2[Rh]245([CH]6=[CH]2CC[CH]4=[CH]5CC6)n2ccc([C@H]4[C@H](c5ccn6[n]5[Rh]578(n9ccc([C@H]%10[C@H]1OC(O%10)(CCC)CCC)[n]9[Rh]19%106[CH]6=[CH]1CC[CH]9=[CH]%10CC6)[CH]1=[CH]5CC[CH]7=[CH]8CC1)OC(O4)(CCC)CCC)[n]2[Rh]1243[CH]3=[CH]1CC[CH]2=[CH]4CC3 |
| Title of publication | Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles |
| Authors of publication | Jozak, Thomas; Sun, Yu; Thiel, Werner R. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 2114 |
| a | 12.4072 ± 0.0001 Å |
| b | 12.4072 ± 0.0001 Å |
| c | 39.0374 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6009.36 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0414 |
| Weighted residual factors for all reflections included in the refinement | 0.0416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052716.cif |
| 180081 | 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 7/05/27. |
7052716.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052716.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052716.cif |
| 28133 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052714, 7052715, 7052716 via cif-deposit CGI script. |
7052716.cif |
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