Crystallography Open Database

Information card for entry 7000354

Preview

Coordinates	7000354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H33.5 F5 O2 P Ru
Calculated formula	C37.5 H33.5 F5 O2 P Ru
Title of publication	Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)
Authors of publication	Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	4
Pages of publication	610
a	13.027 ± 0.004 Å
b	16.959 ± 0.005 Å
c	17.133 ± 0.006 Å
α	111.86 ± 0.03°
β	106.93 ± 0.03°
γ	93.67 ± 0.02°
Cell volume	3297 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.158
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	7000354.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000354.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000354.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000354.cif