Crystallography Open Database

Information card for entry 4082145

Preview

Coordinates	4082145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H51 O4.5 P2 Ru
Calculated formula	C57 H51 O4.5 P2 Ru
Title of publication	Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion
Authors of publication	Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7407
a	11.1443 ± 0.0003 Å
b	13.0096 ± 0.0003 Å
c	18.0739 ± 0.0006 Å
α	105.546 ± 0.002°
β	105.975 ± 0.003°
γ	100.147 ± 0.002°
Cell volume	2337.01 ± 0.13 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7107 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.	4082145.cif
92187	2014-01-12	cif/ Adding structures of 4082141, 4082142, 4082143, 4082144, 4082145, 4082146 via cif-deposit CGI script.	4082145.cif