Crystallography Open Database

Information card for entry 4071691

Preview

Coordinates	4071691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 O P2 Ru
Calculated formula	C50 H43.32 O P2 Ru
Title of publication	Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex
Authors of publication	Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3635
a	13.898 ± 0.003 Å
b	15.542 ± 0.004 Å
c	10.008 ± 0.002 Å
α	96.38 ± 0.02°
β	110.6 ± 0.02°
γ	88.54 ± 0.02°
Cell volume	2010.8 ± 0.8 Å³
Cell temperature	200.2 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 significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275249 (current)	2022-05-09	cif/4/07/16/ Replaced the '' sequence with a backslash symbol ('\') in multiple data values in entry 4071691.	4071691.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071691.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071691.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071691.cif
43985	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071691, 4071692 via cif-deposit CGI script.	4071691.cif