Crystallography Open Database

Information card for entry 7229202

Preview

Coordinates	7229202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Br8 N2 Te
Calculated formula	C12 H16 Br8 N2 Te
Title of publication	One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts
Authors of publication	Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.
Journal of publication	CrystEngComm
Year of publication	2017
a	9.17057 ± 0.00017 Å
b	15.7027 ± 0.0003 Å
c	17.5191 ± 0.0004 Å
α	76.7399 ± 0.0017°
β	79.5106 ± 0.0017°
γ	74.9556 ± 0.0016°
Cell volume	2351.14 ± 0.09 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
201010 (current)	2017-09-19	cif/ Adding structures of 7229200, 7229201, 7229202, 7229203, 7229204 via cif-deposit CGI script.	7229202.cif