Crystallography Open Database

Information card for entry 7227229

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Structure parameters

Formula	C115 H92 Cd2 Cl4 N20 O11 S4
Calculated formula	C115 H92 Cd2 Cl4 N20 O11 S4
Title of publication	Cadmium(II) complexes with 4-acyl pyrazolone derivative and co-ligands: crystal structure and antitumor activity
Authors of publication	Luo, Hua-Ying; Li, Jin-Yu; Li, Yue; Zhang, Li; Li, Jin-Yao; jia, dianzeng; Xu, Guan-Cheng
Journal of publication	RSC Adv.
Year of publication	2016
a	10.309 ± 0.003 Å
b	12.277 ± 0.003 Å
c	21.891 ± 0.006 Å
α	85.849 ± 0.003°
β	88.224 ± 0.003°
γ	87.932 ± 0.003°
Cell volume	2760.4 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0764
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7227229.cif
188835	2016-12-02	cif/ Adding structures of 7227226, 7227227, 7227228, 7227229 via cif-deposit CGI script.	7227229.cif