Crystallography Open Database

Information card for entry 4075858

Preview

Coordinates	4075858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C200 H189 Cl13 N3 O1.5 P12 Ru3
Calculated formula	C200 H184 Cl13 N3 O1.5 P12 Ru3
Title of publication	Synthesis and Photophysical Properties of Trimetallic Acetylide Complexes with a 1,3,5-Triazine Core
Authors of publication	Hu, Quan Yuan; Lu, Wei Xin; Tang, Hong Ding; Sung, Herman H. Y.; Wen, Ting Bin; Williams, Ian D.; Wong, George K. L.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	3966
a	18.274 ± 0.004 Å
b	18.582 ± 0.004 Å
c	27.929 ± 0.006 Å
α	96.925 ± 0.004°
β	103.277 ± 0.004°
γ	90.856 ± 0.004°
Cell volume	9154 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4075858.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075858.cif
50707	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075858 via cif-deposit CGI script.	4075858.cif