Crystallography Open Database

Information card for entry 4132690

Preview

Coordinates	4132690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H56 Cl4 F12 N16 O13 Re4 S4
Calculated formula	C88 H56 Cl4 F12 N16 O13 Re4 S4
Title of publication	A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO<sub>2</sub> and a Proton Donor Promotes the Electrochemical Reduction of CO<sub>2</sub> to CO Catalyzed by a Rhenium Bipyridine-Type Complex.
Authors of publication	Haviv, Eynat; Azaiza-Dabbah, Dima; Carmieli, Raanan; Avram, Liat; Martin, Jan M. L.; Neumann, Ronny
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	39
Pages of publication	12451 - 12456
a	29.948 ± 0.006 Å
b	29.987 ± 0.006 Å
c	29.283 ± 0.006 Å
α	90°
β	101.13 ± 0.03°
γ	90°
Cell volume	25803 ± 9 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0423
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
242613 (current)	2019-11-26	cif/ Adding structures of 4132690 via cif-deposit CGI script.	4132690.cif