Crystallography Open Database

Information card for entry 1010776

1010775 << 1010776 >> 1010777

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Coordinates	1010776.cif

Structure parameters

Chemical name	Fluorotrichloromethane
Formula	C Cl3 F
SMILES	C(Cl)(Cl)(Cl)F
Title of publication	Interatomic distances of F C Cl~3~ and F C Br~3~
Authors of publication	Wouters, J; De Hemptinne, M
Journal of publication	Nature (London)
Year of publication	1938
Journal volume	141
Pages of publication	412 - 413
Number of distinct elements	3
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
114540 (current)	2014-05-25	smi Adding SMILES for binary chlorine compounds.	1010776.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010776.cif
1063	2010-03-31	cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst\| awk '{print "../"substr($1,0,1)"/"$1".cif"}'\| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards.	1010776.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.	1010776.cif
904	2009-11-23	cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ \| xargs -n1 -iX \ bash -c 'if [ $(cif_filter X \| wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler).	1010776.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/'	1010776.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010776.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.	1010776.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)	1010776.cif