Crystallography Open Database

Information card for entry 4066869

Preview

Coordinates	4066869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 F6 N2 P Ru S3
Calculated formula	C24 H25 F6 N2 P Ru S3
SMILES	C(#Cc1ccccc1)[Ru]123([n]4ccccc4c4cccc[n]14)[S]1CC[S]2CC[S]3CC1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Photophysical and Theoretical Studies of Ruthenium(II)−Acetylide and −Cyanide Complexes with Aromatic Diimine and Trithiacyclononane
Authors of publication	Wong, Chun-Yuen; Lai, Lo-Ming; Chan, Siu-Chung; Tai, Lai-Hung
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6259
a	10.6871 ± 0.0009 Å
b	12.3212 ± 0.001 Å
c	19.86 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2615.1 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0326
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178560 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68.	4066869.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066869.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066869.cif
34008	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066868, 4066869, 4066870, 4066871 via cif-deposit CGI script.	4066869.cif