Crystallography Open Database

Information card for entry 4067249

Preview

Coordinates	4067249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H58 B Cl4 F4 O0.5 P2 Ru
Calculated formula	C63 H58 B Cl4 F4 O0.5 P2 Ru
Title of publication	Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group
Authors of publication	Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	24
Pages of publication	6829
a	27.4112 ± 0.0005 Å
b	18.2409 ± 0.0003 Å
c	22.5234 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11261.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
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.	4067249.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067249.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067249.cif
34132	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067248, 4067249, 4067250 via cif-deposit CGI script.	4067249.cif