Crystallography Open Database

Information card for entry 2023159

2023158 << 2023159 >> 2023160

Preview

Coordinates	2023159.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)
Formula	C36 H42 Co N9 O9 S3
Calculated formula	C36 H42 Co N9 O9 S3
Title of publication	Crystal structure of tris-{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III).
Authors of publication	Roecker, Lee; Parkin, Sean
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	713 - 716
a	16.6906 ± 0.0003 Å
b	16.6906 ± 0.0003 Å
c	9.1346 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2203.76 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294005 (current)	2024-08-07	cif/ Updating files of 2023159 Original log message: Adding full bibliography for 2023159.cif.	2023159.cif
292294	2024-06-12	cif/ Adding structures of 2023159 via cif-deposit CGI script.	2023159.cif