Crystallography Open Database

Information card for entry 7703665

Preview

Coordinates	7703665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 N11.5 O22.5 Re2.5
Calculated formula	C36 H64 N11.5 O22.5 Re2.5
Title of publication	Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium.
Authors of publication	Thevenet, Alexiane; Marie, Cécile; Tamain, Christelle; Amendola, Valeria; Miljkovic, Ana; Guillaumont, Dominique; Boubals, Nathalie; Guilbaud, Philippe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1446 - 1455
a	18.197 ± 0.0009 Å
b	16.7678 ± 0.0008 Å
c	17.77 ± 0.0009 Å
α	90°
β	107.426 ± 0.0014°
γ	90°
Cell volume	5173.2 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0462
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248769 (current)	2020-03-04	cif/ Adding structures of 7703665 via cif-deposit CGI script.	7703665.cif