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Information card for entry 7002389
Preview
| Coordinates | 7002389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H98 Cu6 N6 O32 |
|---|---|
| Calculated formula | C98 H98 Cu6 N6 O32 |
| SMILES | [C@@H]12[C@@H]([C@@H]([C@@H](CO1)O)[O]1[Cu]34(Oc5ccc6c(cccc6)c5C=[N]23)[Cu]231Oc1c(c5c(cc1)cccc5)C=[N]2[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)[O]43)O)O.CO |
| Title of publication | Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates |
| Authors of publication | Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 39 |
| Pages of publication | 8432 - 8442 |
| a | 13.893 ± 0.002 Å |
| b | 17.144 ± 0.002 Å |
| c | 18.831 ± 0.002 Å |
| α | 90° |
| β | 100.73 ± 0.02° |
| γ | 90° |
| Cell volume | 4406.8 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179721 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23. |
7002389.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002389.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002389.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002389.cif |
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