Crystallography Open Database

Information card for entry 4349752

Preview

Coordinates	4349752.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cyclometalated platinum
Formula	C20.5 H14 Cl2 N2 Pt
Calculated formula	C20.5 H14 Cl2 N2 Pt
SMILES	c1c2ccccc2cc2c1c1[n]3c(c4[n]([Pt]23Cl)cccc4)ccc1.C(Cl)Cl
Title of publication	Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents
Authors of publication	Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	2
Pages of publication	413
a	19.794 ± 0.005 Å
b	7.7967 ± 0.0018 Å
c	23.287 ± 0.006 Å
α	90°
β	106.577 ± 0.004°
γ	90°
Cell volume	3444.5 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.063
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
271475 (current)	2021-12-16	cif/4: Fixing some Z values and formulae	4349752.cif
235793	2019-11-24	cif/ Adding structures of 4349751, 4349752 via cif-deposit CGI script.	4349752.cif