Crystallography Open Database

Information card for entry 7059057

Preview

Coordinates	7059057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cu2 I2 N14 S2
Calculated formula	C38 H32 Cu2 I2 N14 S2
Title of publication	In vitro and in vivo anticancer activity of thiourea tripyridyl dinuclear Cu(II) complex
Authors of publication	Jin, Jinjin; Hu, Jiyong; Qin, Yue; Zhang, Junshuai; Zhao, Jin'an; Yue, Liang; Hou, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	48
Pages of publication	19286 - 19297
a	8.816 ± 0.0003 Å
b	10.8974 ± 0.0004 Å
c	11.8642 ± 0.0004 Å
α	105.415 ± 0.003°
β	107.187 ± 0.003°
γ	94.746 ± 0.003°
Cell volume	1033.52 ± 0.07 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0294
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059057.cif
227936	2019-11-16	cif/ Adding structures of 7059057 via cif-deposit CGI script.	7059057.cif