Crystallography Open Database

Information card for entry 4334245

Preview

Coordinates	4334245.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Grosss-41 (Atif)
Formula	C52.5 H13 Co F23 N6
Calculated formula	C52.5 H13 Co F23 N6
Title of publication	Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory Calculations
Authors of publication	Biswajit Mondal; Kushal Sengupta; Atanu Rana; Atif Mahammed; Mark Botoshansky; Somdatta Ghosh Dey; Zeev Gross; Abhishek Dey
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3381 - 3387
a	36.763 ± 0.002 Å
b	19.7464 ± 0.0009 Å
c	26.072 ± 0.001 Å
α	90°
β	92.246 ± 0.001°
γ	90°
Cell volume	18912.1 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1145
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2301
Weighted residual factors for all reflections included in the refinement	0.2606
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
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.	4334245.cif
100060	2014-02-04	cif/ Adding structures of 4334245 via cif-deposit CGI script.	4334245.cif