Crystallography Open Database

Information card for entry 4064125

Preview

Coordinates	4064125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H27 Cl5 N4 O7 Re2 S12
Calculated formula	C43 H27 Cl5 N4 O7 Re2 S12
Title of publication	Syntheses, Characterization, and Properties of Rhenium(I) Tricarbonyl Complexes with Tetrathiafulvalene-Fused Phenanthroline Ligands
Authors of publication	Qin, Jie; Hu, Liang; Li, Gao-Nan; Wang, Xi-Sen; Xu, Yan; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2173
a	14.4425 ± 0.0012 Å
b	14.801 ± 0.002 Å
c	15.0311 ± 0.0014 Å
α	109.162 ± 0.002°
β	93.823 ± 0.003°
γ	105.541 ± 0.002°
Cell volume	2881.6 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.078
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178535 (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 4/06/41.	4064125.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064125.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064125.cif
32790	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064125, 4064126 via cif-deposit CGI script.	4064125.cif