Crystallography Open Database

Information card for entry 7700139

Preview

Coordinates	7700139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 Br2 F N3 Zn
Calculated formula	C21 H14 Br2 F N3 Zn
Title of publication	Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.
Authors of publication	Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10488 - 10504
a	13.774 ± 0.003 Å
b	14.789 ± 0.003 Å
c	19.06 ± 0.004 Å
α	90°
β	93.81 ± 0.03°
γ	90°
Cell volume	3874 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0388
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223778 (current)	2019-11-07	cif/ Updating files of 7700139, 7700140, 7700141, 7700142, 7700143, 7700144, 7700145 Original log message: Adding full bibliography for 7700139--7700145.cif.	7700139.cif
215673	2019-06-04	cif/ Adding structures of 7700139, 7700140, 7700141, 7700142, 7700143, 7700144, 7700145 via cif-deposit CGI script.	7700139.cif