Crystallography Open Database

Information card for entry 4069928

Preview

Coordinates	4069928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H37 Br O P2 Ru
Calculated formula	C44 H37 Br O P2 Ru
Title of publication	A New Oxidative Addition of Ruthenium(0) into an Aryl Halide Bond and Subsequent Intermolecular C−H Insertion
Authors of publication	Grounds, Helen; Anderson, James C.; Hayter, Barry; Blake, Alexander J.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5289
a	12.837 ± 0.002 Å
b	13.965 ± 0.002 Å
c	20.176 ± 0.003 Å
α	90°
β	94.568 ± 0.003°
γ	90°
Cell volume	3605.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178588 (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 4/06/99.	4069928.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069928.cif
40514	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069928, 4069929, 4069930 via cif-deposit CGI script.	4069928.cif