Crystallography Open Database

Information card for entry 7714389

Preview

Coordinates	7714389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cl8 N4 O4 S4 Tc
Calculated formula	C28 H32 Cl8 N4 O4 S4 Tc
Title of publication	Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions
Authors of publication	Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail
Journal of publication	Dalton Transactions
Year of publication	2023
a	7.1584 ± 0.0004 Å
b	9.3884 ± 0.0005 Å
c	15.4846 ± 0.0008 Å
α	76.369 ± 0.002°
β	79.704 ± 0.002°
γ	81.477 ± 0.002°
Cell volume	988.92 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0291
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0516
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
287267 (current)	2023-11-05	cif/ Adding structures of 7714384, 7714385, 7714386, 7714387, 7714388, 7714389, 7714390, 7714391 via cif-deposit CGI script.	7714389.cif