Crystallography Open Database

Information card for entry 4077440

Preview

Coordinates	4077440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H57 F9 N6 O12 Ru S3
Calculated formula	C34 H57 F9 N6 O12 Ru S3
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	12.05 ± 0.0018 Å
b	12.5932 ± 0.0017 Å
c	16.346 ± 0.003 Å
α	81.513 ± 0.017°
β	82.928 ± 0.019°
γ	88.205 ± 0.017°
Cell volume	2434.4 ± 0.7 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0764
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178663 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/74.	4077440.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077440.cif
54347	2012-04-24	cif/ Adding structures of 4077439, 4077440 via cif-deposit CGI script.	4077440.cif