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Information card for entry 2240015
Preview
| Coordinates | 2240015.cif |
|---|---|
| Structure factors | 2240015.hkl |
| Original IUCr paper | HTML |
| Common name | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II) |
|---|---|
| Chemical name | Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II) |
| Formula | C28 H22 F2 N2 Ni O2 |
| Calculated formula | C28 H22 F2 N2 Ni O2 |
| SMILES | c12ccccc1C=[N](Cc1ccc(F)cc1)[Ni]1(O2)[N](=Cc2c(cccc2)O1)Cc1ccc(F)cc1 |
| Title of publication | Crystal structure of bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>K</i>^2^<i>N,O</i>^1^}nickel(II) |
| Authors of publication | Tajuddin, Amalina Mohd; Bahron, Hadariah; Hanafiah, Rohazila Mohammad; Ibrahim, Nazlina; Fun, Hoong-Kun; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 252 - 255 |
| a | 13.8611 ± 0.0003 Å |
| b | 5.8334 ± 0.00001 Å |
| c | 16.9942 ± 0.0003 Å |
| α | 90° |
| β | 125.998 ± 0.001° |
| γ | 90° |
| Cell volume | 1111.7 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0318 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194595 (current) | 2017-03-29 | cif/2/24/00/ (antanas@echidna.ibt.lt) Replacing the "\K" substring with the "\k" substring in the values of the _chemical_name_common and _chemical_name_systematic data items in entry 2240015. |
2240015.cif 2240015.hkl |
| 181900 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240015.cif 2240015.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240015.cif 2240015.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240015.cif 2240015.hkl |
| 124361 | 2014-09-28 | cif/ hkl/ Adding structures of 2240015 via cif-deposit CGI script. |
2240015.cif 2240015.hkl |
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Users of the data should acknowledge the original authors of the
structural data.