Crystallography Open Database

Information card for entry 1548900

Preview

Coordinates	1548900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Co F6 N4 O6 S2
Calculated formula	C16 H24 Co F6 N4 O6 S2
SMILES	[Co]123([N]4(Cc5[n]1cccc5)CC[N]3(CC[N]2(CC4)C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Title of publication	Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.
Authors of publication	Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	9
Pages of publication	2609 - 2619
a	9.312 ± 0.002 Å
b	16.956 ± 0.004 Å
c	29.498 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4657.6 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228801 (current)	2019-11-17	cif/ Updating files of 1548897, 1548898, 1548899, 1548900, 1548901, 1548902 Original log message: Adding full bibliography for 1548897--1548902.cif.	1548900.cif
206348	2018-02-10	cif/ Adding structures of 1548897, 1548898, 1548899, 1548900, 1548901, 1548902 via cif-deposit CGI script.	1548900.cif