Crystallography Open Database

Information card for entry 7039029

Preview

Coordinates	7039029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 Br N2 Se Te
Calculated formula	C23 H31 Br N2 Se Te
SMILES	[Te]([Se]=C1N(c2ccccc2N1CCCC)CCCC)(Br)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	7.455 ± 0.003 Å
b	17 ± 0.007 Å
c	18.707 ± 0.008 Å
α	90°
β	92.214 ± 0.007°
γ	90°
Cell volume	2369.1 ± 1.7 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	0.0603
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	7039029.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.	7039029.cif
182136	2016-04-15	cif/ Adding structures of 7039028, 7039029, 7039030, 7039031, 7039032, 7039033, 7039034 via cif-deposit CGI script.	7039029.cif