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Information card for entry 4308424
Preview
| Coordinates | 4308424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | am169 |
|---|---|
| Formula | C50 H44 Cl2 Cu2 N6 O10 |
| Calculated formula | C50 H44 Cl2 Cu2 N6 O10 |
| SMILES | [Cu]123([N]4[C@@H]([C@H]([N]3=Cc3c5[O]1[Cu]16([O]2c2c(C=4)cc(cc2C=[N]1[C@H](c1ccccc1)[C@H]([N]6=Cc5cc(c3)C)c1ccccc1)C)OCl(=O)(=O)=O)c1ccccc1)c1ccccc1)OCl(=O)(=O)=O.N#CC.N#CC |
| Title of publication | Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes |
| Authors of publication | Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 232 - 241 |
| a | 9.6972 ± 0.0008 Å |
| b | 10.4822 ± 0.0008 Å |
| c | 45.648 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4640 ± 0.6 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210267 (current) | 2018-09-01 | cif/4/30/ Updating bibliography in entries 4301029-4301036, 4308421-4308428. Marking entries 4301029-4301036 as duplicates of entries 4308421-4308428. |
4308424.cif |
| 179122 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84. |
4308424.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308424.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308424.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308424.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308424.cif |
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