Crystallography Open Database

Information card for entry 7706668

Preview

Coordinates	7706668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl2 Cu N3 O
Calculated formula	C21 H15 Cl2 Cu N3 O
SMILES	[Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1c(O)cccc1)c1[n]2cccc1
Title of publication	Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.
Authors of publication	Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8243 - 8257
a	7.8481 ± 0.0007 Å
b	13.264 ± 0.0013 Å
c	18.1504 ± 0.0014 Å
α	90°
β	98.039 ± 0.008°
γ	90°
Cell volume	1870.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
267204 (current)	2021-07-05	cif/ Updating files of 7706668, 7706669, 7706670, 7706671, 7706672, 7706673, 7706674 Original log message: Adding full bibliography for 7706668--7706674.cif.	7706668.cif
262179	2021-02-24	cif/ Adding structures of 7706668, 7706669, 7706670, 7706671, 7706672, 7706673, 7706674 via cif-deposit CGI script.	7706668.cif