Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231149
Preview
| Coordinates | 2231149.cif |
|---|---|
| Structure factors | 2231149.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato- κ^2^<i>N</i>,<i>O</i>^1^}nickel(II) |
|---|---|
| Formula | C30 H26 F2 N2 Ni O4 |
| Calculated formula | C30 H26 F2 N2 Ni O4 |
| Title of publication | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II) |
| Authors of publication | Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1010 - m1011 |
| a | 5.011 ± 0.0002 Å |
| b | 10.9309 ± 0.0004 Å |
| c | 12.2435 ± 0.0005 Å |
| α | 109.631 ± 0.002° |
| β | 99.083 ± 0.003° |
| γ | 91.02 ± 0.003° |
| Cell volume | 621.92 ± 0.04 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2231149.cif 2231149.hkl |
| 181233 | 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 2/23/11. |
2231149.cif 2231149.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. |
2231149.cif 2231149.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231149.cif 2231149.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. | 2231149.cif 2231149.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231149.cif 2231149.hkl |
| 27057 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231149 via cif-deposit CGI script. |
2231149.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.