Crystallography Open Database

Information card for entry 4088044

Preview

Coordinates	4088044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 F3 O3 P S Te
Calculated formula	C25 H18 F3 O3 P S Te
SMILES	C1Cc2c3c1ccc1c3c(cc2)[P+](c2ccccc2)(c2ccccc2)[Te]1.C(F)(F)(F)S(=O)(=O)[O-]
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	8.5859 ± 0.0003 Å
b	13.5523 ± 0.0004 Å
c	20.3142 ± 0.0006 Å
α	90°
β	99.133 ± 0.001°
γ	90°
Cell volume	2333.77 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	4088044.cif