Crystallography Open Database

Information card for entry 3000200

Preview

Coordinates	3000200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl4 Cu2 N16 O2
Calculated formula	C28 H36 Cl4 Cu2 N16 O2
Title of publication	First Example of Antiparasitic Activity Influenced by Thermochromism: Leishmanicidal Evaluation of 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine Metal Complexes.
Authors of publication	José Manuel Méndez-Arriaga; Itziar Oyarzabal; Álvaro Martín-Montes; Judith García-Rodríguez; Miguel Quirós; Manuel Sánchez-Moreno
Journal of publication	Medicinal chemistry (Shariqah (United Arab Emirates))
Year of publication	2020
Journal volume	16
Journal issue	3
Pages of publication	422 - 430
a	9.2588 ± 0.0018 Å
b	9.5065 ± 0.0019 Å
c	12.181 ± 0.002 Å
α	70.416 ± 0.002°
β	80.694 ± 0.002°
γ	61.22 ± 0.002°
Cell volume	885.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
252433 (current)	2020-05-28	cif/ Updating files of 3000200 Original log message: Releasing structure 3000200 into public domain as published material.	3000200.cif
207774	2018-05-15	cif/ Adding structures of 3000200 via cif-deposit CGI script.	3000200.cif