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Information card for entry 7015566
Preview
| Coordinates | 7015566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H56 Cl3 Co3 |
|---|---|
| Calculated formula | C76 H56 Cl3 Co3 |
| SMILES | [Co]1234567([cH]8[cH]4[cH]3[cH]2[cH]18)[C]1(=[C]5([C]6(=[C]71c1ccccc1)[C]12=[C]3([Co]456781([cH]1[cH]7[cH]6[cH]5[cH]41)[C]3(=[C]28c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[C]12[Co]345678([cH]9[cH]3[cH]4[cH]5[cH]69)[C]1(=[C]7([C]=28c1ccccc1)c1ccccc1)c1ccccc1.ClC(Cl)Cl |
| Title of publication | Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2. |
| Authors of publication | Singh, Nem; Elias, Anil J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 4882 - 4891 |
| a | 11.236 ± 0.004 Å |
| b | 13.546 ± 0.004 Å |
| c | 20.574 ± 0.006 Å |
| α | 85.371 ± 0.006° |
| β | 74.27 ± 0.006° |
| γ | 79.674 ± 0.006° |
| Cell volume | 2963.6 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7015566.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015566.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015566.cif |
| 21191 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015560, 7015561, 7015562, 7015563, 7015564, 7015565, 7015566 via cif-deposit CGI script. |
7015566.cif |
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Users of the data should acknowledge the original authors of the
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