Crystallography Open Database

Information card for entry 4084663

Preview

Coordinates	4084663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 O4 P Ru
Calculated formula	C37 H35 O4 P Ru
SMILES	[Ru]1234([P](C5c6c([CH]3=[CH]4c3c5cccc3)cccc6)(c3ccccc3)c3ccccc3)([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)C
Title of publication	Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes
Authors of publication	Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6604
a	16.0175 ± 0.0004 Å
b	16.0175 ± 0.0004 Å
c	24.3076 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6236.4 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275193 (current)	2022-05-07	cif/4/08/46/ Replaced the '' sequences with backslash symbols ('\') in multiple data values in entries 4084662-4084666.	4084663.cif
178735	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46.	4084663.cif
131426	2015-02-07	cif/ Updating files of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 Original log message: Adding full bibliography for 4084661--4084666.cif.	4084663.cif
126676	2014-11-08	cif/ Adding structures of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 via cif-deposit CGI script.	4084663.cif