Crystallography Open Database

Information card for entry 4072908

Preview

Coordinates	4072908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H39 Cl4 N P2 Ru
Calculated formula	C44 H39 Cl4 N P2 Ru
SMILES	[Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(cccc3)[CH]1=[CH2]2.C(Cl)Cl
Title of publication	Cyclometalation of 2-Vinylpyridine with MCl2(PPh3)3and MHCl(PPh3)3(M = Ru, Os)
Authors of publication	Zhang, Li; Dang, Li; Wen, Ting Bin; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	11
Pages of publication	2849
a	13.4753 ± 0.0008 Å
b	13.1464 ± 0.0008 Å
c	21.8713 ± 0.0013 Å
α	90°
β	91.061 ± 0.001°
γ	90°
Cell volume	3873.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178618 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/29.	4072908.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072908.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072908.cif
46069	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072908, 4072909, 4072910, 4072911 via cif-deposit CGI script.	4072908.cif