Crystallography Open Database

Information card for entry 7714804

Preview

Coordinates	7714804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Co F6 N2 O0.25 P3 S2
Calculated formula	C36 H32 Co F6 N2 O0.25 P3 S2
Title of publication	Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.
Authors of publication	Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1469 - 1481
a	12.6502 ± 0.0005 Å
b	13.2027 ± 0.0005 Å
c	22.541 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3764.7 ± 0.2 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for all reflections	0.0541
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.0003
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
289493 (current)	2024-02-04	cif/ Updating files of 7714799, 7714800, 7714801, 7714802, 7714803, 7714804 Original log message: Adding full bibliography for 7714799--7714804.cif.	7714804.cif
288493	2023-12-22	cif/ Adding structures of 7714799, 7714800, 7714801, 7714802, 7714803, 7714804 via cif-deposit CGI script.	7714804.cif