Crystallography Open Database

Information card for entry 4068904

Preview

Coordinates	4068904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.25 H43.5 B Cl0.5 F4 N2 O Ru
Calculated formula	C34.25 H43.5 B Cl0.5 F4 N2 O Ru
Title of publication	Sequential Formation of [Ru(IPr)2(CO)H(OH2)]+and [Ru(IPr)(η6-C6H6)(CO)H]+upon Protonation of Ru(IPr)2(CO)H(OH) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)
Authors of publication	Saker, Olly; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1976
a	9.704 ± 0.004 Å
b	18.093 ± 0.008 Å
c	19.237 ± 0.008 Å
α	91.981 ± 0.005°
β	96.119 ± 0.005°
γ	93.59 ± 0.005°
Cell volume	3349 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1551
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.6943 Å
Diffraction radiation type	synchrotron
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.	4068904.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068904.cif
40032	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068902, 4068903, 4068904 via cif-deposit CGI script.	4068904.cif