Crystallography Open Database

Information card for entry 4088043

Preview

Coordinates	4088043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 I3 P Te
Calculated formula	C18 H22 I3 P Te
SMILES	I[I-]I.[Te]1[P+](c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C
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	9.8954 ± 0.0008 Å
b	15.5322 ± 0.0015 Å
c	14.5588 ± 0.0014 Å
α	90°
β	93.366 ± 0.002°
γ	90°
Cell volume	2233.8 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 all reflections	0.0174
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0412
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4088043.cif