Crystallography Open Database

Information card for entry 4324013

Preview

Coordinates	4324013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Cl2 F6 P Rh S4
Calculated formula	C23 H32 Cl2 F6 P Rh S4
Title of publication	Rhodium(III) Complexes with Acyclic Tetrathioether Ligands. Effects of Backbone Chain Length on the Conformation of the Rh(III) Complex
Authors of publication	Niranjan Goswami; Roger Alberto; Charles L. Barnes; Silvia Jurisson
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	7546 - 7555
a	13.54 ± 0.002 Å
b	12.774 ± 0.003 Å
c	16.873 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2918.4 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.047
Weighted residual factors for significantly intense reflections	0.047
Goodness-of-fit parameter for significantly intense reflections	1.29
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.	4324013.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.	4324013.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'	4324013.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4324013.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324013.cif
24265	2011-08-14	../uploads/cif-deposit/cod/cif Adding structures of 4324013 via cif-deposit CGI script.	4324013.cif