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Information card for entry 4100265
Preview
| Coordinates | 4100265.cif |
|---|
| Formula | C29 H50 B10 N2 O Zr |
|---|---|
| Calculated formula | C29 H50 B10 N2 O Zr |
| SMILES | [BH]1234[C]567[Zr]89%10%11%12%13%14%15(N(C(=N\C%16CCCCC%16)\[C]%16%171[BH]1%185[BH]5%197[BH]726[BH]265[BH]51%19[BH]1%16%18[BH]%164%17[BH]372[BH]651%16)C1CCCCC1)([cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]%12[cH]%13[cH]%14[cH]%151.O1CCCC1 |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| a | 10.556 ± 0.002 Å |
| b | 24.47 ± 0.0013 Å |
| c | 13.1219 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3389.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201210 (current) | 2017-09-25 | cif/ Moving the _symmetry_cell_setting data item out of the loop in entries 1513161, 2100005, 2100006, 2202914, 4100109, 4100110, 4100111, 4100242, 4100265, 4100289, 4100287, 4100288, 4100590, 4334471, 7105136. |
4100265.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4100265.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100265.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4100265.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4100265.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100265.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4100265.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4100265.cif |
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Users of the data should acknowledge the original authors of the
structural data.