Crystallography Open Database

Information card for entry 7057387

Preview

Coordinates	7057387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Ga N9 O5 S2
Calculated formula	C32 H38 Ga N9 O5 S2
Title of publication	Gallium(iii)‒2-benzoylpyridine-thiosemicarbazone complexes promote apoptosis through Ca2+ signaling and ROS-mediated mitochondrial pathways
Authors of publication	Qi, Jinxu; Qian, Kun; Tian, Liang; Cheng, Zhen; Wang, Yihong
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	12
Pages of publication	10226
a	18.466 ± 0.003 Å
b	8.9272 ± 0.0014 Å
c	21.798 ± 0.004 Å
α	90°
β	94.344 ± 0.003°
γ	90°
Cell volume	3583.1 ± 1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
230545 (current)	2019-11-17	cif/ Updating files of 7057387, 7057388, 7057389 Original log message: Adding full bibliography for 7057387--7057389.cif.	7057387.cif
207649	2018-05-03	cif/ Adding structures of 7057387, 7057388, 7057389 via cif-deposit CGI script.	7057387.cif