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Information card for entry 7006400
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| Coordinates | 7006400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | adenine(aqua)oxalatocopper(ii)-water (1/1.66) |
|---|---|
| Chemical name | adenine(aqua)oxalatocopper(II)-water (1/1.66) |
| Formula | C14 H20.66 Cu2 N10 O13.33 |
| Calculated formula | C14 H14 Cu2 N10 O13.32 |
| Title of publication | Supramolecular architectures assembled by the interaction of purine nucleobases with metal-oxalato frameworks. Non-covalent stabilization of the 7H-adenine tautomer in the solid-state. |
| Authors of publication | García-Terán, Juan P; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 7 |
| Pages of publication | 902 - 911 |
| a | 3.587 ± 0.001 Å |
| b | 17.965 ± 0.002 Å |
| c | 18.01 ± 0.002 Å |
| α | 97.7 ± 0.01° |
| β | 92.42 ± 0.01° |
| γ | 91.87 ± 0.01° |
| Cell volume | 1148.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179768 (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 7/00/64. |
7006400.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006400.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006400.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006400.cif |
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Users of the data should acknowledge the original authors of the
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