Crystallography Open Database

Information card for entry 4069655

Preview

Coordinates	4069655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 Cl2 F3 O5 P3 Ru S
Calculated formula	C60 H48 Cl2 F3 O5 P3 Ru S
Title of publication	Reactions of [Ru(CO)2(PPh3)3] with Alkynylphosphonium Salts: Phosphaallenylidene vs Phosphonioacetylide Coordination
Authors of publication	Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4880
a	10.0272 ± 0.0002 Å
b	14.6376 ± 0.0004 Å
c	19.3095 ± 0.0007 Å
α	86.374 ± 0.001°
β	78.064 ± 0.002°
γ	79.451 ± 0.002°
Cell volume	2725.05 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0747
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4069655.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069655.cif
40378	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069655 via cif-deposit CGI script.	4069655.cif