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Information card for entry 7217826
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| Coordinates | 7217826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H70 Cl3 Cu4 N15 O21 |
|---|---|
| Calculated formula | C48 H36 Cl3 Cu4 N15 O21 |
| Title of publication | Simultaneous co-ordination of three cytosine ligands displaying different binding sites around the copper centres |
| Authors of publication | Patil, Yogesh; Nethaji, Munirathinam |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| a | 20.653 ± 0.005 Å |
| b | 24.066 ± 0.005 Å |
| c | 26.128 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12987 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1888 |
| Weighted residual factors for all reflections included in the refinement | 0.248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180509 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78. |
7217826.cif |
| 122600 | 2014-08-29 | cif/ Adding structures of 7217826 via cif-deposit CGI script. |
7217826.cif |
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Users of the data should acknowledge the original authors of the
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