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Information card for entry 4311332
Preview
| Coordinates | 4311332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-[bis(mu!3$-adeninato-N3,N7,N9)(oxalato-O,O')diaqua dicopper(II)-water (1/7)] |
|---|---|
| Formula | C24 H52 Cu4 N20 O26 |
| Calculated formula | C24 H24 Cu4 N20 O22 |
| Title of publication | An Unusual 3D Coordination Polymer Based on Bridging Interactions of the Nucleobase Adenine |
| Authors of publication | Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Luis Lezama |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4549 - 4551 |
| a | 31.35 ± 0.001 Å |
| b | 31.35 ± 0.001 Å |
| c | 14.285 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 12158.7 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1471 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179152 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13. |
4311332.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4311332.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311332.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311332.cif |
| 2827 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311332 via cif-deposit CGI script. |
4311332.cif |
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Users of the data should acknowledge the original authors of the
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