Crystallography Open Database

Information card for entry 4071692

Preview

Coordinates	4071692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 O P Ru
Calculated formula	C32 H29 O P Ru
SMILES	[Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(C[CH]1=[CH]2c1c(O)cccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
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	16.843 ± 0.004 Å
b	19.073 ± 0.005 Å
c	15.619 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5018 ± 2 Å³
Cell temperature	200.2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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
288190 (current)	2023-12-08	cif/4/07/16/ Corrected the value of '_exptl_absorpt_correction_type' data item and added the '_exptl_absorpt_process_details' date item in entry 4071692.	4071692.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.	4071692.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071692.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071692.cif
43985	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071691, 4071692 via cif-deposit CGI script.	4071692.cif