Crystallography Open Database

Information card for entry 7039031

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Structure parameters

Formula	C23 H31 B F4 N2 Se Te
Calculated formula	C23 H31 B F4 N2 Se Te
SMILES	[Te]([Se]=C1N(c2ccccc2N1CCCC)CCCC)c1c(cccc1C)C.[B](F)(F)(F)[F-]
Title of publication	Selone-stabilized aryltellurenyl cations.
Authors of publication	Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	20
Pages of publication	8458 - 8467
a	7.8058 ± 0.0015 Å
b	16.228 ± 0.003 Å
c	19.817 ± 0.004 Å
α	90°
β	93.629 ± 0.003°
γ	90°
Cell volume	2505.2 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039031.cif
185424	2016-08-07	cif/ Updating files of 7039028, 7039029, 7039030, 7039031, 7039032, 7039033, 7039034 Original log message: Adding full bibliography for 7039028--7039034.cif.	7039031.cif
182136	2016-04-15	cif/ Adding structures of 7039028, 7039029, 7039030, 7039031, 7039032, 7039033, 7039034 via cif-deposit CGI script.	7039031.cif