Crystallography Open Database

Information card for entry 1549729

Preview

Coordinates	1549729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cl3 N2 O5 Pt2 S2
Calculated formula	C21 H23 Cl3 N2 O5 Pt2 S2
SMILES	[Pt]1([n]2c(n([Pt]([S](=O)(C)C)(Cl)Cl)c3c2cccc3)c2cc3c(oc2=[O]1)cc(OC)cc3)(Cl)[S](=O)(C)C
Title of publication	Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin
Authors of publication	Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong
Journal of publication	Metallomics
Year of publication	2018
a	9.4211 ± 0.0004 Å
b	12.9359 ± 0.0008 Å
c	13.8521 ± 0.0008 Å
α	66.332 ± 0.006°
β	88.609 ± 0.004°
γ	71.401 ± 0.005°
Cell volume	1454.91 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.0436
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
209272 (current)	2018-07-26	cif/ Adding structures of 1549728, 1549729 via cif-deposit CGI script.	1549729.cif