Crystallography Open Database

Information card for entry 4077439

Preview

Coordinates	4077439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H78 F6 N3 O6.5 P2 Ru S2
Calculated formula	C45.5 H78 F6 N3 O6.5 P2 Ru S2
Title of publication	Ruthenium Carbene Complexes Containing a Triazolidene Cationic Ligand
Authors of publication	Chaumonnot, Alexandra; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Buron, Christophe; Bertrand, Guy; Metivier, Pascal
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	26
Pages of publication	5614
a	26.353 ± 0.003 Å
b	9.7122 ± 0.0007 Å
c	43.792 ± 0.005 Å
α	90°
β	94.792 ± 0.013°
γ	90°
Cell volume	11169 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1989
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
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.	4077439.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077439.cif
54347	2012-04-24	cif/ Adding structures of 4077439, 4077440 via cif-deposit CGI script.	4077439.cif