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Information card for entry 4510646
Preview
| Coordinates | 4510646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Poly[aquabis(mu-isophthalato-kO:kO':k2O'',O''')(mu-9-methyladenina-kN1:kN7) dicopper(II)‒water (1/1)] |
|---|---|
| Formula | C22 H19 Cu2 N5 O10 |
| Calculated formula | C22 H17 Cu2 N5 O10 |
| Title of publication | Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks |
| Authors of publication | Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 3057 |
| a | 9.628 ± 0.001 Å |
| b | 19.315 ± 0.001 Å |
| c | 14.872 ± 0.001 Å |
| α | 90° |
| β | 108.705 ± 0.003° |
| γ | 90° |
| Cell volume | 2619.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194590 (current) | 2017-03-29 | cif/4/51/06/ (antanas@echidna.ibt.lt) Replacing the "–" substring with the "--" substring in the _chemical_name_systematic data items value in entries 4510645, 4510646, 4510647. |
4510646.cif |
| 179653 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06. |
4510646.cif |
| 113100 | 2014-05-08 | cif/ Adding structures of 4510643, 4510644, 4510645, 4510646, 4510647 via cif-deposit CGI script. |
4510646.cif |
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Users of the data should acknowledge the original authors of the
structural data.