Crystallography Open Database

Information card for entry 7045083

Preview

Coordinates	7045083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cl Eu0 Fe N2 O6 Se2
Calculated formula	C27 H28 Cl Fe N2 O6 Se2
SMILES	[Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[Se]CCN(CC[Se][c]15[cH]6[cH]7[cH]8[cH]91)Cc1cc2oc(=O)cc(c2cc1)C.Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.
Authors of publication	Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1479 - 1487
a	10.88 ± 0.004 Å
b	11.998 ± 0.005 Å
c	21.837 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2850.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
229458 (current)	2019-11-17	cif/ Updating files of 7045081, 7045082, 7045083, 7045084 Original log message: Adding full bibliography for 7045081--7045084.cif.	7045083.cif
204382	2017-12-20	cif/ Adding structures of 7045081, 7045082, 7045083, 7045084 via cif-deposit CGI script.	7045083.cif