Crystallography Open Database

Information card for entry 7712572

Preview

Coordinates	7712572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Br F2 N2 O3 Re
Calculated formula	C14 H8 Br F2 N2 O3 Re
SMILES	[Re]1(Br)([n]2ccccc2c2[n]1cc(cc2)C(F)F)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis, characterization, and in vivo evaluation of the anticancer activity of a series of 5- and 6-(halomethyl)-2,2'-bipyridine rhenium tricarbonyl complexes.
Authors of publication	Nasiri Sovari, Sara; Kolly, Isabelle; Schindler, Kevin; Djurić, Ana; Srdić-Rajić, Tatjana; Crochet, Aurelien; Pavic, Aleksandar; Zobi, Fabio
Journal of publication	Dalton Transactions
Year of publication	2023
a	14.7874 ± 0.0005 Å
b	11.5066 ± 0.0002 Å
c	8.8657 ± 0.0003 Å
α	90°
β	92.42 ± 0.003°
γ	90°
Cell volume	1507.18 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281786 (current)	2023-03-10	cif/ Adding structures of 7712568, 7712569, 7712570, 7712571, 7712572, 7712573, 7712574 via cif-deposit CGI script.	7712572.cif