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Information card for entry 2228273
Preview
| Coordinates | 2228273.cif |
|---|---|
| Structure factors | 2228273.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>trans</i>-Bis(4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)bis(nitrato-κ^2^<i>O</i>,<i>O'</i>)zinc(II) |
|---|---|
| Formula | C48 H32 N6 O6 Zn |
| Calculated formula | C48 H32 N6 O6 Zn |
| SMILES | c1cc(c2c3[n]1[Zn]1([n]4c3c(cc2)c(cc4)c2ccccc2)[n]2c3c4c(c(cc[n]14)c1ccccc1)ccc3c(cc2)c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | <i>trans</i>-Bis(4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II) |
| Authors of publication | Fernandes, José A.; Almeida Paz, Filipe A.; Liu, Feng-Yi; Cunha-Silva, Luís; Carlos, Luís D.; Rocha, João |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1608 - m1609 |
| a | 20.5074 ± 0.0004 Å |
| b | 17.4116 ± 0.0003 Å |
| c | 12.7089 ± 0.0003 Å |
| α | 90° |
| β | 124.035 ± 0.001° |
| γ | 90° |
| Cell volume | 3760.56 ± 0.14 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0339 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228273.cif 2228273.hkl |
| 181203 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228273.cif 2228273.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228273.cif 2228273.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228273.cif 2228273.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. | 2228273.cif 2228273.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228273.cif 2228273.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228273.cif 2228273.hkl |
| 5771 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228272, 2228273, 2228274, 2228275, 2228276, 2228277, 2228278, 2228279, 2228280, 2228281 via cif-deposit CGI script. |
2228273.cif |
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