Crystallography Open Database

Information card for entry 4324142

Preview

Coordinates	4324142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 F6 N5 O P Ru S
Calculated formula	C20 H22 F6 N5 O P Ru S
SMILES	[Ru]1([N](=Cc2sccc12)c1ccc(cc1)OC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Novel Thiophene-Based Cycloruthenated Compounds: Synthesis, Characterization, and Reactivity
Authors of publication	Luciano Cuesta; Irene Maluenda; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	37 - 45
a	8.549 ± 0.0012 Å
b	12.4607 ± 0.0014 Å
c	13.546 ± 0.002 Å
α	64.476 ± 0.013°
β	73.774 ± 0.013°
γ	83.614 ± 0.01°
Cell volume	1250.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2148
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.652
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
179344 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41.	4324142.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324142.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324142.cif
24433	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324142 via cif-deposit CGI script.	4324142.cif