Crystallography Open Database

Information card for entry 7246061

Preview

Coordinates	7246061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Cl N5
Calculated formula	C18 H14 Cl N5
SMILES	Cl.n1c(c2ccncc2)c([nH]c1c1ccncc1)c1ccncc1
Title of publication	Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions
Authors of publication	Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	5
Pages of publication	848 - 858
a	7.623 ± 0.011 Å
b	10.098 ± 0.015 Å
c	11.325 ± 0.017 Å
α	110.36 ± 0.03°
β	103.14 ± 0.03°
γ	95.07 ± 0.03°
Cell volume	782 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1672
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2193
Weighted residual factors for all reflections included in the refinement	0.305
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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