Crystallography Open Database

Information card for entry 7714801

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Coordinates	7714801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Co N7 S3
Calculated formula	C14 H12 Co N7 S3
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	10.311 ± 0.0017 Å
b	12.3024 ± 0.0019 Å
c	28.363 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3597.8 ± 1.1 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P b c b
Hall space group symbol	-P 2bc 2b
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections	0.0712
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7714801.cif
288493	2023-12-22	cif/ Adding structures of 7714799, 7714800, 7714801, 7714802, 7714803, 7714804 via cif-deposit CGI script.	7714801.cif