Crystallography Open Database

Information card for entry 4320789

4320788 << 4320789 >> 4320790

Preview

Coordinates	4320789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 P2 Ru S
Calculated formula	C49 H40 P2 Ru S
SMILES	[Ru]1234(SC#Cc5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15
Title of publication	Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr
Authors of publication	Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	7072 - 7078
a	14.4564 ± 0.0007 Å
b	15.6851 ± 0.0003 Å
c	18.1251 ± 0.0002 Å
α	90°
β	105.533 ± 0.0004°
γ	90°
Cell volume	3959.8 ± 0.2 Å³
Cell temperature	273.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	2.827
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4320789.html