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Information card for entry 4300985
Preview
| Coordinates | 4300985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H49 Cl N2 O4 Pd |
|---|---|
| Calculated formula | C45 H49 Cl N2 O4 Pd |
| SMILES | [Pd](Cl)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C.O1CCCC1.O1CCCC1 |
| Title of publication | "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols |
| Authors of publication | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 431 - 442 |
| a | 8.027 ± 0.003 Å |
| b | 11.255 ± 0.003 Å |
| c | 11.55 ± 0.002 Å |
| α | 100.41 ± 0.03° |
| β | 96.37 ± 0.03° |
| γ | 98.95 ± 0.04° |
| Cell volume | 1003.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Duplicate of | 4308398 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210276 (current) | 2018-09-01 | cif/4/30/ Updating bibliography in entries 4300979-4300988, 4308392-4308401. Marking entries 4300979-4300988 as duplicates of entries 4308392-4308401. |
4300985.cif |
| 133774 | 2015-03-10 | cif/4/30/ (antanas@echidna.ibt.lt) Updating bibliography for CIFs 4300979, 430098[0-8]. |
4300985.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4300985.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300985.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. |
4300985.cif |
| 23 | 2008-01-27 | Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ | xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ | tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ | xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ | utf8-to-cif \ | perl -pe "s/€/\\\\/g" \ | fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded. |
4300985.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/' |
4300985.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300985.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. |
4300985.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) |
4300985.cif |
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