Crystallography Open Database

Information card for entry 4062047

4062046 << 4062047 >> 4062048

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Coordinates	4062047.cif

Structure parameters

Common name	Alkoxid-Li3-Dianion
Formula	C20 H45 Li3 O P6
Calculated formula	C20 H45 Li3 O P6
SMILES	[P]1([Li]234567[P]8([Li]9%10%11%123[P](CC3([O]5%10[Li]5%1049([P](C3)(C)C)[P](C%12C6%115(C78)C%10[P]2(C)C)(C)C)C1)(C)C)(C)C)(C)C
Journal of publication	Organometallics
Year of publication	2003
a	9.0869 ± 0.0019 Å
b	11.851 ± 0.002 Å
c	15.175 ± 0.003 Å
α	81.323 ± 0.007°
β	89.812 ± 0.007°
γ	73.27 ± 0.02°
Cell volume	1545.8 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
134573 (current)	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	4062047.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4062047.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062047.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.	4062047.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/'	4062047.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062047.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.	4062047.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)	4062047.cif