Crystallography Open Database

Information card for entry 4349992

Preview

Coordinates	4349992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H45 Cl8 Fe3 N12 O4 S3
Calculated formula	C36.99 H39 Cl8 Fe3 N12 O4 S3
Title of publication	An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities
Authors of publication	Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	4
Pages of publication	1040
a	17.2759 ± 0.0008 Å
b	17.2759 ± 0.0008 Å
c	17.2759 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5156.1 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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