Crystallography Open Database

Information card for entry 2023164

2023163 << 2023164 >> 2023165

Preview

Coordinates	2023164.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>N</i>-{2-[(2-Aminoethyl)amino]ethyl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tricarbonylrhenium(I)
Formula	C20 H22 N3 O5 Re S
Calculated formula	C20 H22 N3 O5 Re S
Title of publication	Synthesis, spectroscopic analysis and crystal structure of (<i>N</i>-{2-[(2-amino-eth-yl)amino]-eth-yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri-carb-on-ylrhenium(I).
Authors of publication	Kaluthanthiri, Dinithi; Perera, Theshini; Fronczek, Frank R.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	742 - 745
a	18.5651 ± 0.0009 Å
b	7.6604 ± 0.0004 Å
c	15.4897 ± 0.0011 Å
α	90°
β	95.472 ± 0.002°
γ	90°
Cell volume	2192.8 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
293989 (current)	2024-08-07	cif/ Updating files of 2023164 Original log message: Adding full bibliography for 2023164.cif.	2023164.cif
292458	2024-06-19	cif/ Adding structures of 2023164 via cif-deposit CGI script.	2023164.cif