Crystallography Open Database

Information card for entry 4319337

4319336 << 4319337 >> 4319338

Preview

Coordinates	4319337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H37 Br Cl Cr2 I N O10 Sb
Calculated formula	C27 H37 Br Cl Cr2 I N O10 Sb
Title of publication	Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives
Authors of publication	Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1206 - 1212
a	17.073 ± 0.003 Å
b	14.288 ± 0.003 Å
c	17.074 ± 0.003 Å
α	90°
β	110.42 ± 0.03°
γ	90°
Cell volume	3903.3 ± 1.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.042
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for significantly intense reflections	1.55
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319337.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4319337.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	4319337.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319337.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319337.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319337.cif
16069	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319337 via cif-deposit CGI script.	4319337.cif