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Information card for entry 2237165
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| Coordinates | 2237165.cif |
|---|---|
| Structure factors | 2237165.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-Amino-7-methyl-4-oxidopteridine-6-carboxylato- κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate |
|---|---|
| Formula | C20 H21 Co N7 O7 |
| Calculated formula | C20 H21 Co N7 O7 |
| SMILES | [Co]123(OC(=O)c4[n]1c1c(nc(nc1O2)N)nc4C)([OH2])[n]1cccc2c1c1[n]3cccc1cc2.O.O.O |
| Title of publication | (2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate |
| Authors of publication | Baisya, Siddhartha S.; Sen, Samir; Roy, Parag S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m70 - m71 |
| a | 8.454 ± 0.002 Å |
| b | 9.934 ± 0.003 Å |
| c | 13.778 ± 0.004 Å |
| α | 97.534 ± 0.004° |
| β | 95.281 ± 0.004° |
| γ | 110.603 ± 0.004° |
| Cell volume | 1061.8 ± 0.5 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.0626 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections | 0.129 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0289 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237165.cif 2237165.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237165.cif 2237165.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237165.cif 2237165.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. | 2237165.cif 2237165.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237165.cif 2237165.hkl |
| 73386 | 2013-02-20 | cif/ Adding structures of 2237165 via cif-deposit CGI script. |
2237165.cif |
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Users of the data should acknowledge the original authors of the
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