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Information card for entry 4061810
Preview
| Coordinates | 4061810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H32 B2 F30 O4 Zr2 |
|---|---|
| Calculated formula | C62 H32 B2 F30 O4 Zr2 |
| SMILES | [B-](C)(c1c(F)c(c(c(c1F)F)F)F)(c1c(c(F)c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C1(C)=[O][Zr]23456789([cH]%10[cH]2[cH]3[cH]4[cH]5%10)([cH]2[cH]6[cH]7[cH]8[cH]92)OC(C)=[O][Zr]23456789(O1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.[B-](C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 11.9868 ± 0.0016 Å |
| b | 12.3812 ± 0.0017 Å |
| c | 12.543 ± 0.002 Å |
| α | 90.053 ± 0.017° |
| β | 118.416 ± 0.013° |
| γ | 108.96 ± 0.012° |
| Cell volume | 1521.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4061810.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4061810.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4061810.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. |
4061810.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/' |
4061810.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4061810.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. |
4061810.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) |
4061810.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.