Crystallography Open Database

Information card for entry 7039034

Preview

Coordinates	7039034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 I N2 Se Te
Calculated formula	C23 H31 I N2 Se Te
SMILES	[Te](I)([Se]=C1N(c2ccccc2N1CCCC)CCCC)c1c(cccc1C)C
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	7.4903 ± 0.0003 Å
b	17.1048 ± 0.0008 Å
c	18.6895 ± 0.0008 Å
α	90°
β	94.244 ± 0.004°
γ	90°
Cell volume	2387.93 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0543
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
185424 (current)	2016-08-07	cif/ Updating files of 7039028, 7039029, 7039030, 7039031, 7039032, 7039033, 7039034 Original log message: Adding full bibliography for 7039028--7039034.cif.	7039034.cif
182136	2016-04-15	cif/ Adding structures of 7039028, 7039029, 7039030, 7039031, 7039032, 7039033, 7039034 via cif-deposit CGI script.	7039034.cif