Crystallography Open Database

Information card for entry 3000018

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Structure parameters

Formula	C28 H44 Cl2 Mn N16 O14
Calculated formula	C28 H44 Cl2 Mn N16 O14
Title of publication	Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis
Authors of publication	Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno
Journal of publication	European Journal of Medicinal Chemistry
Year of publication	2014
Journal volume	85
Pages of publication	526 - 534
a	14.9135 ± 0.0008 Å
b	8.5203 ± 0.0005 Å
c	17.769 ± 0.001 Å
α	90°
β	111.617 ± 0.001°
γ	90°
Cell volume	2099.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0415
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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