Crystallography Open Database

Information card for entry 7134199

Preview

Coordinates	7134199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H78 K N O2 Se2
Calculated formula	C55 H78 K N O2 Se2
Title of publication	Potassium-telluroether interactions: structural characterisation and computational analysis.
Authors of publication	Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	15
Pages of publication	3143 - 3146
a	9.342 ± 0.004 Å
b	18.461 ± 0.007 Å
c	29.14 ± 0.008 Å
α	90°
β	92.67 ± 0.01°
γ	90°
Cell volume	5020 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.2014
Residual factor for significantly intense reflections	0.1975
Weighted residual factors for significantly intense reflections	0.4378
Weighted residual factors for all reflections included in the refinement	0.4396
Goodness-of-fit parameter for all reflections included in the refinement	1.246
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
298061 (current)	2025-03-04	cif/ Updating files of 7134197, 7134198, 7134199, 7134200 Original log message: Adding full bibliography for 7134197--7134200.cif.	7134199.cif
297478	2025-01-28	cif/ Adding structures of 7134197, 7134198, 7134199, 7134200 via cif-deposit CGI script.	7134199.cif