Crystallography Open Database

Information card for entry 2023424

2023423 << 2023424 >> 2023425

Preview

Coordinates	2023424.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(2-methyl-1<i>H</i>-imidazol-3-ium) 5-carboxybenzene-1,3-dicarboxylate 3,5-dicarboxybenzoate
Formula	C30 H30 N6 O12
Calculated formula	C30 H30 N6 O12
Title of publication	Synthesis and structure of tris-(2-methyl-1<i>H</i>-imidazol-3-ium) 5-carb-oxy-benzene-1,3-di-carboxyl-ate 3,5-di-carb-oxy-benzoate.
Authors of publication	Asprilla-Herrera, Lina Maria; Techert, Simone; Velazquez-Garcia, Jose de Jesus
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 4
Pages of publication	303 - 309
a	14.172 ± 0.003 Å
b	15.902 ± 0.003 Å
c	14.644 ± 0.003 Å
α	90°
β	110.46 ± 0.03°
γ	90°
Cell volume	3092 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
299523 (current)	2025-05-03	cif/ Updating files of 2023424 Original log message: Adding full bibliography for 2023424.cif.	2023424.cif
298403	2025-03-12	cif/ Adding structures of 2023424 via cif-deposit CGI script.	2023424.cif