Crystallography Open Database

Information card for entry 4339853

Preview

Coordinates	4339853.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mer-tricarbonylchlorobis(4-[2,2']bithiophenyl-5-yl-pyridine)rhenium(I)
Formula	C21.5 H17 Cl0.5 N O1.5 Re0.5 S2
Calculated formula	C14.5 H9 Cl0.5 N O1.5 Re0.5 S2
Title of publication	Electrochromic polymer films containing Re(I) and Pt(II) metal centers.
Authors of publication	Farrell, Joshua R.; Lavoie, David P.; Pennell, Ryan T.; Cetin, Anil; Shaw, Janet L.; Ziegler, Christopher J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6840 - 6842
a	16.742 ± 0.005 Å
b	9.043 ± 0.003 Å
c	26.653 ± 0.008 Å
α	90°
β	103.926 ± 0.005°
γ	90°
Cell volume	3917 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4339853.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4339853.cif
117578	2014-06-15	cif/ Adding structures of 4339852, 4339853 via cif-deposit CGI script.	4339853.cif