Crystallography Open Database

Information card for entry 7056119

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Coordinates	7056119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Br2 Cu N8 O3
Calculated formula	C18 H22 Br2 Cu N8 O3
SMILES	c1[n](c2n(c3ccccc3n2C)n1)[Cu](Br)([OH2])([n]1cnn2c1n(c1c2cccc1)C)Br.O.O
Title of publication	Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles
Authors of publication	Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.
Journal of publication	New J. Chem.
Year of publication	2017
a	18.028 ± 0.003 Å
b	7.2842 ± 0.0012 Å
c	17.278 ± 0.002 Å
α	90°
β	92.963 ± 0.01°
γ	90°
Cell volume	2265.9 ± 0.6 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195686 (current)	2017-04-22	cif/ Adding structures of 7056118, 7056119 via cif-deposit CGI script.	7056119.cif