Crystallography Open Database

Information card for entry 7115024

Preview

Coordinates	7115024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H140 Br9 Li5 O26 Te12
Calculated formula	C76 H140 Br9 Li5 O26 Te12
Title of publication	A novel cage organotellurate(iv) macrocyclic host encapsulating a bromide anion guest: [Li(THF)4][{(PriTe)12O16Br4{Li(THF)Br}4}Br]·2THF
Authors of publication	Citeau, Hélène; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	19
Pages of publication	2006
a	15.1957 ± 0.0004 Å
b	27.6216 ± 0.0008 Å
c	16.0219 ± 0.0003 Å
α	90°
β	116.572 ± 0.001°
γ	90°
Cell volume	6014.5 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115024.cif
118488	2014-06-30	cif/ Adding structures of 7115024 via cif-deposit CGI script.	7115024.cif