Crystallography Open Database

Information card for entry 4336580

Preview

Coordinates	4336580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48.67 Co1.33 F12 N8 O13.33 P2
Calculated formula	C44 H46 Co1.33333 F12 N8 O13.3333 P2
Title of publication	Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media
Authors of publication	Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12576 - 12586
a	35.053 ± 0.0007 Å
b	35.053 ± 0.0007 Å
c	21.4741 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	22850.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	0.823
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
179468 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/65.	4336580.cif
102585	2014-02-21	cif/ Adding structures of 4336580 via cif-deposit CGI script.	4336580.cif