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Information card for entry 2229709
Preview
| Coordinates | 2229709.cif |
|---|---|
| Structure factors | 2229709.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(2-furylmethyl)iminomethyl]-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>}zinc(II) |
|---|---|
| Formula | C26 H24 N2 O6 Zn |
| Calculated formula | C26 H24 N2 O6 Zn |
| SMILES | c12ccc(cc2O[Zn]2([N](=C1)Cc1occc1)[N](=Cc1c(cc(cc1)OC)O2)Cc1occc1)OC |
| Title of publication | Bis{2-[(2-furylmethyl)iminomethyl]-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>}zinc(II) |
| Authors of publication | Li, Chunyan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m512 |
| a | 27.21 ± 0.004 Å |
| b | 5.2244 ± 0.0007 Å |
| c | 19.007 ± 0.003 Å |
| α | 90° |
| β | 119.507 ± 0.002° |
| γ | 90° |
| Cell volume | 2351.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181218 (current) | 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 2/22/97. |
2229709.cif 2229709.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. |
2229709.cif 2229709.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2229709.cif 2229709.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229709.cif 2229709.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. | 2229709.cif 2229709.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229709.cif 2229709.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229709.cif 2229709.hkl |
| 19176 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229709 via cif-deposit CGI script. |
2229709.cif |
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Users of the data should acknowledge the original authors of the
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