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Information card for entry 2234431
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| Coordinates | 2234431.cif |
|---|---|
| Structure factors | 2234431.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato- κ^2^<i>N</i>,<i>O</i>)zinc methanol disolvate |
|---|---|
| Formula | C42 H36 N2 O4 Zn |
| Calculated formula | C42 H36 N2 O4 Zn |
| SMILES | c12ccccc1[N](=Cc1ccc3c(Cc4c3cccc4)c1)[Zn]1(O2)[N](c2c(cccc2)O1)=Cc1ccc2c3ccccc3Cc2c1.CO.CO |
| Title of publication | Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato-κ^2^<i>N</i>,<i>O</i>)zinc methanol disolvate |
| Authors of publication | Kim, Young-Inn; Yun, Sung-Jae; Hwang, Inn-Hye; Kim, Dae-Young; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m504 - m505 |
| a | 13.7294 ± 0.0003 Å |
| b | 13.9123 ± 0.0002 Å |
| c | 18.8383 ± 0.0003 Å |
| α | 90° |
| β | 110.652 ± 0.001° |
| γ | 90° |
| Cell volume | 3367.03 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0753 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181266 (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 2/23/44. |
2234431.cif 2234431.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. |
2234431.cif 2234431.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234431.cif 2234431.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. | 2234431.cif 2234431.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234431.cif 2234431.hkl |
| 55708 | 2012-05-05 | cif/ Adding structures of 2234431 via cif-deposit CGI script. |
2234431.cif |
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Users of the data should acknowledge the original authors of the
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