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Information card for entry 2237971
Preview
| Coordinates | 2237971.cif |
|---|---|
| Structure factors | 2237971.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate |
|---|---|
| Formula | C18 H18 N2 O6 Pt |
| Calculated formula | C18 H18 N2 O6 Pt |
| SMILES | [Pt]12([n]3c4c5[n]1cccc5ccc4ccc3)OC(=O)C1(C(=O)O2)CCC1.O.O |
| Title of publication | (Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate |
| Authors of publication | Štarha, Pavel; Trávníček, Zdeněk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m334 |
| a | 10.93439 ± 0.00014 Å |
| b | 11.83205 ± 0.00018 Å |
| c | 13.51039 ± 0.00019 Å |
| α | 84.7158 ± 0.0012° |
| β | 84.3918 ± 0.0011° |
| γ | 85.624 ± 0.0011° |
| Cell volume | 1728.16 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0235 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237971.cif 2237971.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. |
2237971.cif 2237971.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237971.cif 2237971.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237971.cif 2237971.hkl |
| 86663 | 2013-07-11 | cif/ Adding structures of 2237971 via cif-deposit CGI script. |
2237971.cif |
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Users of the data should acknowledge the original authors of the
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