Crystallography Open Database

Information card for entry 7119105

7119104 << 7119105 >> 7119106

Preview

Coordinates	7119105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Cl I2 N O2 Pt S
Calculated formula	C11 H10 Cl I2 N O2 Pt S
SMILES	[Pt]1([S](=O)(C)C)(Cl)Oc2c(I)cc(I)c3ccc[n]1c23
Title of publication	Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition
Authors of publication	Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng
Journal of publication	Med. Chem. Commun.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	1802
a	12.2175 ± 0.0004 Å
b	11.5867 ± 0.0004 Å
c	45.0661 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6379.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
192220 (current)	2017-02-17	cif/7 Fixing Z values and formulae	7119105.cif
187155	2016-10-08	cif/ Updating files of 7119104, 7119105 Original log message: Adding full bibliography for 7119104--7119105.cif.	7119105.cif
184334	2016-07-09	cif/ Adding structures of 7119104, 7119105 via cif-deposit CGI script.	7119105.cif