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Information card for entry 7015564
Preview
| Coordinates | 7015564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H46 Co2 N2 O2 |
|---|---|
| Calculated formula | C60 H46 Co2 N2 O2 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Co]1672345[C]2([C]34=[C]5([C]8(=[C]3(c3ccccc3)[Co]39%10%11458[c]4([cH]3[cH]9[cH]%10[cH]%114)C3=NCCO3)c3ccccc3)c3ccccc3)=[C]1([C]6(=[C]72c1ccccc1)c1ccccc1)c1ccccc1)C1=NCCO1 |
| 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 | 10.876 ± 0.003 Å |
| b | 11.351 ± 0.004 Å |
| c | 11.373 ± 0.004 Å |
| α | 84.505 ± 0.006° |
| β | 63.09 ± 0.005° |
| γ | 62.221 ± 0.005° |
| Cell volume | 1095.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
7015564.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015564.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015564.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. |
7015564.cif |
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Users of the data should acknowledge the original authors of the
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