Crystallography Open Database

Information card for entry 4068537

Preview

Coordinates	4068537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Cl N4 O4 Re S16
Calculated formula	C33 H34 Cl N4 O4 Re S16
Title of publication	Syntheses, Structures, and Properties of Tricarbonyl (Chloro) Rhenium(I) Complexes with Redox-Active Tetrathiafulvalene−Pyrazole Ligands
Authors of publication	Liu, Wei; Xiong, Jing; Wang, Yong; Zhou, Xin-Hui; Wang, Ru; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	755
a	15.888 ± 0.002 Å
b	30.026 ± 0.004 Å
c	13.2625 ± 0.0017 Å
α	90°
β	90.204 ± 0.002°
γ	90°
Cell volume	6326.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.2473
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068537.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068537.cif
39843	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068534, 4068535, 4068536, 4068537 via cif-deposit CGI script.	4068537.cif