Crystallography Open Database

Information card for entry 4073686

Preview

Coordinates	4073686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H60 F18 O2 P2 Ru2 S2
Calculated formula	C53 H48 F18 O2 P2 Ru2 S2
Title of publication	Preparation and Photochemical Behavior of Organoruthenium Derivatives of Photochromic Dithienylethene (DTE): DTE−(RRuLm)n(RRuLm= (η6-C6H5)Ru(η5-C5Me5), (η6-C6H5)RuCl2(PPh3), (η5-C5Me4)Ru(CO)2;n= 1, 2)†
Authors of publication	Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	20
Pages of publication	5030
a	22.918 ± 0.002 Å
b	16.0017 ± 0.0008 Å
c	17.421 ± 0.002 Å
α	90°
β	116.007 ± 0.003°
γ	90°
Cell volume	5741.8 ± 0.9 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
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.	4073686.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073686.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073686.cif
46488	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073686, 4073687, 4073688 via cif-deposit CGI script.	4073686.cif