Crystallography Open Database

Information card for entry 4316882

Preview

Coordinates	4316882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 F6 N2 O2 P Ru S2
Calculated formula	C26 H27 F6 N2 O2 P Ru S2
SMILES	[Ru]123456(SS(=O)(=O)c7ccccc7)([n]7ccccc7c7[n]1cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	An Alternate Route to Disulfanido Complexes by Nucleophilic Attack of Thiolates on Ruthenium-Bound Thiosulfonato Ligands
Authors of publication	Erwan Galardon; Patrick Deschamps; Alain Tomas; Pascal Roussel; Isabelle Artaud
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9119 - 9121
a	8.9186 ± 0.0003 Å
b	12.9261 ± 0.0004 Å
c	13.2205 ± 0.0005 Å
α	70.623 ± 0.001°
β	73.689 ± 0.002°
γ	78.504 ± 0.001°
Cell volume	1370.39 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316882.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316882.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316882.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' ) &	4316882.cif
10391	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316882 via cif-deposit CGI script.	4316882.cif