Crystallography Open Database

Information card for entry 4112895

Preview

Coordinates	4112895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H136 N16 O4 Ru4 Si2
Calculated formula	C119.152 H117.872 N16 O3.516 Ru4 Si2
Title of publication	A New Direction in Carbon-Rich Organometallic Wires: Diruthenium Compounds Bridged by E-Hex-3-ene-1,5-diyn-diyl
Authors of publication	Yanhui Shi; Gordon T. Yee; Guangbin Wang; Tong Ren
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10552 - 10553
a	10.132 ± 0.003 Å
b	13.768 ± 0.004 Å
c	21.539 ± 0.006 Å
α	81.366 ± 0.004°
β	86.409 ± 0.004°
γ	86.84 ± 0.005°
Cell volume	2961.6 ± 1.5 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178899 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28.	4112895.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112895.cif
65312	2012-09-05	cif/ Adding structures of 4112895 via cif-deposit CGI script.	4112895.cif