Crystallography Open Database

Information card for entry 7056164

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Structure parameters

Formula	C17 H11 N7
Calculated formula	C17 H11 N7
SMILES	c1(cccc(n1)c1nnn2ccccc12)c1c2ccccn2nn1
Title of publication	Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles
Authors of publication	Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	12
Pages of publication	4918 - 4922
a	12.633 ± 0.003 Å
b	9.977 ± 0.002 Å
c	12.085 ± 0.002 Å
α	90°
β	112.39 ± 0.03°
γ	90°
Cell volume	1408.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.0648
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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