Crystallography Open Database

Information card for entry 7706371

Preview

Coordinates	7706371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,8,14,18,23,27-Hexa-azonia-1,11-diaza-6,16,25(1,4)-tri(tetrafluorobenzena) bicyclo (9.9.9)nonacosaphane perrhenate clathrate pentakys(triflate) pentahydrate
Formula	C41 H58 F27 N8 O24 Re S5
Calculated formula	C41 H48 F27 N8 O24 Re S5
Title of publication	Syntheses and evaluation of new hydrophilic azacryptands used as masking agents of technetium in solvent extraction processes.
Authors of publication	Thevenet, Alexiane; Miljkovic, Ana; La Cognata, Sonia; Marie, Cécile; Tamain, Christelle; Boubals, Nathalie; Mangano, Carlo; Amendola, Valeria; Guilbaud, Philippe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	5
Pages of publication	1620 - 1630
a	12.0433 ± 0.0008 Å
b	18.7847 ± 0.0012 Å
c	31.495 ± 0.002 Å
α	90°
β	96.772 ± 0.002°
γ	90°
Cell volume	7075.4 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262612 (current)	2021-03-05	cif/ Updating files of 7706371 Original log message: Adding full bibliography for 7706371.cif.	7706371.cif
260929	2021-01-14	cif/ Adding structures of 7706371 via cif-deposit CGI script.	7706371.cif