Crystallography Open Database

Information card for entry 4088040

Preview

Coordinates	4088040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Br P Te
Calculated formula	C18 H22 Br P Te
SMILES	[Te]1[P+](c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C.[Br-]
Title of publication	Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates
Authors of publication	Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	21
Pages of publication	5341
a	7.786 ± 0.0008 Å
b	13.9267 ± 0.0014 Å
c	16.4054 ± 0.0018 Å
α	90°
β	97.078 ± 0.007°
γ	90°
Cell volume	1765.3 ± 0.3 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.023
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237228 (current)	2019-11-24	cif/ Adding structures of 4088031, 4088032, 4088033, 4088034, 4088035, 4088036, 4088037, 4088038, 4088039, 4088040, 4088041, 4088042, 4088043, 4088044, 4088045, 4088046 via cif-deposit CGI script.	4088040.cif