Crystallography Open Database

Information card for entry 4070577

Preview

Coordinates	4070577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H45 Au2 Cl2 N2 O2.5 P2 S4
Calculated formula	C51 H45 Au2 Cl2 N2 O2.5 P2 S4
Title of publication	Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units
Authors of publication	Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	126
a	17.174 ± 0.009 Å
b	14.14 ± 0.007 Å
c	22.72 ± 0.012 Å
α	90°
β	93.788 ± 0.01°
γ	90°
Cell volume	5505 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0954
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
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.	4070577.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070577.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070577.cif
42573	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070577 via cif-deposit CGI script.	4070577.cif