Crystallography Open Database

Information card for entry 7232776

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Coordinates	7232776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N12 O6 Zn
Calculated formula	C24 H18 N12 O6 Zn
Title of publication	Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe
Authors of publication	Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	22
Pages of publication	3390
a	12.359 ± 0.01 Å
b	12.665 ± 0.009 Å
c	13.855 ± 0.01 Å
α	75.7 ± 0.03°
β	72.44 ± 0.02°
γ	87.55 ± 0.04°
Cell volume	2002 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.2594
Weighted residual factors for all reflections included in the refinement	0.278
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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