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Information card for entry 2018065
Preview
| Coordinates | 2018065.cif |
|---|---|
| Structure factors | 2018065.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate |
|---|---|
| Formula | C26 H24 Cu2 N6 O11 |
| Calculated formula | C26 H24 Cu2 N6 O11 |
| SMILES | [Cu]123([OH][Cu]4([n]5cccc6ccc7ccc[n]4c7c56)([O]=C(O2)C)[OH2]3)[n]2cccc3ccc4ccc[n]1c4c23.N(=O)(=O)[O-].N(=O)(=O)[O-].O |
| Title of publication | μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate |
| Authors of publication | Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m130 - m133 |
| a | 8.15051 ± 0.00015 Å |
| b | 17.4091 ± 0.0003 Å |
| c | 19.7447 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2801.64 ± 0.09 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| 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. |
2018065.cif 2018065.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. |
2018065.cif 2018065.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. |
2018065.cif 2018065.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018065.cif 2018065.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. | 2018065.cif 2018065.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018065.cif 2018065.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018065.cif 2018065.hkl |
| 20044 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018065 via cif-deposit CGI script. |
2018065.cif |
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