Crystallography Open Database

Information card for entry 4514087

Preview

Coordinates	4514087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 Cl F6 N3 O3 P Re
Calculated formula	C21 H14 Cl F6 N3 O3 P Re
SMILES	[Re]1([n]2cccc3c2c2[n]1cccc2cc3)([n]1cc(ccc1)CCl)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Simultaneously Inducing and Tracking Cancer Cell Metabolism Repression by Mitochondria-Immobilized Rhenium(I) Complex.
Authors of publication	Yang, Jing; Zhao, Ji-Xian; Cao, Qian; Hao, Liang; Zhou, Danxia; Gan, Zhenji; Ji, Liang-Nian; Mao, Zong-Wan
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
a	18.1055 ± 0.0003 Å
b	13.5482 ± 0.0002 Å
c	18.3545 ± 0.0003 Å
α	90°
β	90.949 ± 0.002°
γ	90°
Cell volume	4501.69 ± 0.12 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195624 (current)	2017-04-21	cif/ Adding structures of 4514087 via cif-deposit CGI script.	4514087.cif