Crystallography Open Database

Information card for entry 7239173

Preview

Coordinates	7239173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 Cl F6 N2 O3 Re
Calculated formula	C48 H30 Cl F6 N2 O3 Re
Title of publication	Rhenium(i) phenanthrolines bearing electron withdrawing CF3 substituents: synthesis, characterization and biological evaluation
Authors of publication	Redshaw, Carl; Watkins, Scott; Humphrey, Simon M.; Bulman Page, Philip C.; Ashby, Shane; Chao, Yimin; Herbert, Christopher J.; Mueller, Anja
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	46
Pages of publication	23963
a	13.0575 ± 0.0001 Å
b	13.1701 ± 0.0002 Å
c	13.9178 ± 0.0002 Å
α	75.4887 ± 0.0006°
β	70.9784 ± 0.0006°
γ	81.8128 ± 0.0007°
Cell volume	2185.72 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0373
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244583 (current)	2019-11-28	cif/ Adding structures of 7239173 via cif-deposit CGI script.	7239173.cif