Crystallography Open Database

Information card for entry 7220588

7220587 << 7220588 >> 7220589

Preview

Coordinates	7220588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 N2 O6 Pt
Calculated formula	C6 H6 N2 O6 Pt
SMILES	[Pt]1([n]2c(c(C(=O)[O-])ncc2)C(=O)O1)([OH2])[OH2]
Title of publication	Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking
Authors of publication	Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	59
Pages of publication	47798
a	8.2784 ± 0.001 Å
b	7.0371 ± 0.0009 Å
c	16.043 ± 0.002 Å
α	90°
β	99.097 ± 0.002°
γ	90°
Cell volume	922.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0205
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220588.cif
137530	2015-05-29	cif/ Adding structures of 7220588, 7220589 via cif-deposit CGI script.	7220588.cif