Crystallography Open Database

Information card for entry 4514086

Preview

Coordinates	4514086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 F6 N3 O4 P Re
Calculated formula	C21 H15 F6 N3 O4 P Re
SMILES	[Re]1([n]2c3c(ccc2)ccc2c3[n]1ccc2)(C#[O])([n]1cc(ccc1)CO)(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	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0407
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
195623 (current)	2017-04-21	cif/ Adding structures of 4514086 via cif-deposit CGI script.	4514086.cif