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Information card for entry 7022856
Preview
| Coordinates | 7022856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 N2 O |
|---|---|
| Calculated formula | C31 H34 N2 O |
| SMILES | Oc1c(cccc1c1nc(ccc1)C(Nc1c(cccc1C(C)C)C(C)C)C)c1ccccc1 |
| Title of publication | From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers. |
| Authors of publication | Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 21 |
| Pages of publication | 7710 - 7723 |
| a | 9.6467 ± 0.0012 Å |
| b | 24.689 ± 0.003 Å |
| c | 11.3413 ± 0.0015 Å |
| α | 90° |
| β | 110.409 ± 0.003° |
| γ | 90° |
| Cell volume | 2531.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1604 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.808 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7022856.cif |
| 179933 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28. |
7022856.cif |
| 90363 | 2013-11-17 | cif/ Adding structures of 7022855, 7022856, 7022857, 7022858, 7022859, 7022860, 7022861, 7022862, 7022863, 7022864, 7022865 via cif-deposit CGI script. |
7022856.cif |
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