Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233226
Preview
| Coordinates | 2233226.cif |
|---|---|
| Structure factors | 2233226.hkl |
| Original IUCr paper | HTML |
| Chemical name | {<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10- phenanthroline)copper(II) methanol monosolvate |
|---|---|
| Formula | C31 H24 Cu N4 O3 |
| Calculated formula | C31 H24 Cu N4 O3 |
| SMILES | [Cu]123([N](N=C(O1)c1ccccc1)=Cc1c4c(ccc1O2)cccc4)[n]1c2c4c(ccc2ccc1)ccc[n]34.OC |
| Title of publication | {<i>N</i>'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate |
| Authors of publication | Liu, Bao-Lin; Dong, De-Ming; Hua, Xiu-Yi; Zhu, Jian-Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m86 |
| a | 20.388 ± 0.002 Å |
| b | 9.9707 ± 0.001 Å |
| c | 12.5268 ± 0.0012 Å |
| α | 90° |
| β | 105.035 ± 0.002° |
| γ | 90° |
| Cell volume | 2459.3 ± 0.4 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0794 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233226.cif 2233226.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. |
2233226.cif 2233226.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233226.cif 2233226.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. | 2233226.cif 2233226.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233226.cif 2233226.hkl |
| 32285 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233226 via cif-deposit CGI script. |
2233226.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.