Crystallography Open Database

Information card for entry 4081649

Preview

Coordinates	4081649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 Cl N4 O2 Ru S
Calculated formula	C38 H51 Cl N4 O2 Ru S
Title of publication	A New Route to Ruthenium Thiolate Alkylidene Complexes
Authors of publication	Dahcheh, Fatme; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5253
a	8.7915 ± 0.0003 Å
b	11.7773 ± 0.0004 Å
c	19.4743 ± 0.0007 Å
α	79.623 ± 0.002°
β	88.313 ± 0.002°
γ	68.932 ± 0.002°
Cell volume	1849.44 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178705 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/16.	4081649.cif
89778	2013-11-10	cif/ Adding structures of 4081649, 4081650 via cif-deposit CGI script.	4081649.cif