Crystallography Open Database

Information card for entry 7045084

Preview

Coordinates	7045084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Fe N O2 Se2
Calculated formula	C25 H25 Fe N O2 Se2
SMILES	[Se]1[c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([cH]%10[cH]9[cH]8[cH]72)[Se]CCN(CC1)Cc1cc2oc(=O)cc(c2cc1)C
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	8.9526 ± 0.001 Å
b	10.2338 ± 0.0011 Å
c	24.89 ± 0.003 Å
α	91.298 ± 0.002°
β	94.727 ± 0.002°
γ	93.742 ± 0.002°
Cell volume	2266.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7045084.cif
204382	2017-12-20	cif/ Adding structures of 7045081, 7045082, 7045083, 7045084 via cif-deposit CGI script.	7045084.cif