Crystallography Open Database

Information card for entry 4063938

Preview

Coordinates	4063938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 F3 O7 Os S
Calculated formula	C17 H19 F3 O7 Os S
Title of publication	Synthesis and Characterization of the κ2-acac-O,OComplex OsIV(acac)2PhCl and Study of CH Activation with Benzene
Authors of publication	Young, Kenneth J. H.; Mironov, Oleg A.; Nielsen, Robert J.; Cheng, Mu-Jeng; Stewart, Timothy; Goddard, William A.; Periana, Roy A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	19
Pages of publication	5088
a	8.5774 ± 0.0006 Å
b	9.3032 ± 0.0005 Å
c	13.0773 ± 0.0007 Å
α	86.17 ± 0.002°
β	88.963 ± 0.003°
γ	85.364 ± 0.003°
Cell volume	1037.71 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178534 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/39.	4063938.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063938.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063938.cif
32730	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063938 via cif-deposit CGI script.	4063938.cif