Crystallography Open Database

Information card for entry 3000021

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Structure parameters

Formula	C28 H44 Cl2 N16 Ni O14
Calculated formula	C28 H44 Cl2 N16 Ni 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	14.8078 ± 0.0008 Å
b	8.6073 ± 0.0005 Å
c	17.5587 ± 0.001 Å
α	90°
β	112.121 ± 0.001°
γ	90°
Cell volume	2073.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0387
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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