Crystallography Open Database

Information card for entry 7232775

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Coordinates	7232775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Br6 N12 O6 Zn
Calculated formula	C25 H19 Br3 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	10.9739 ± 0.0006 Å
b	12.7951 ± 0.0007 Å
c	13.6318 ± 0.0006 Å
α	104.805 ± 0.004°
β	96.979 ± 0.004°
γ	91.525 ± 0.005°
Cell volume	1833.5 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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