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Information card for entry 2018064
Preview
| Coordinates | 2018064.cif |
|---|---|
| Structure factors | 2018064.hkl |
| Original IUCr paper | HTML |
| Common name | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)cobalt(II) tetrahydrate |
|---|---|
| Chemical name | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]cobalt(II) tetrahydrate |
| Formula | C28 H38 Co N12 O14 |
| Calculated formula | C28 H34 Co N12 O14 |
| Title of publication | Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue |
| Authors of publication | Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m169 - m172 |
| a | 9.651 ± 0.002 Å |
| b | 10.045 ± 0.002 Å |
| c | 10.661 ± 0.002 Å |
| α | 107.4 ± 0.004° |
| β | 90.371 ± 0.004° |
| γ | 118.019 ± 0.003° |
| Cell volume | 857.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
2018064.cif 2018064.hkl |
| 180849 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018064.cif 2018064.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018064.cif 2018064.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018064.cif 2018064.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018064.cif 2018064.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018064.cif 2018064.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018064.cif 2018064.hkl |
| 20043 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018063, 2018064 via cif-deposit CGI script. |
2018064.cif |
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