Crystallography Open Database

Information card for entry 1558783

Preview

Coordinates	1558783.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Fluoromethyl)trimethylphosphonium iodide
Formula	C4 H11 F I P
Calculated formula	C4 H11 F I P
Title of publication	Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety
Authors of publication	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	33
Pages of publication	14306 - 14315
a	12.143 ± 0.0005 Å
b	7.3397 ± 0.0003 Å
c	9.2655 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	825.8 ± 0.07 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257700 (current)	2020-10-06	cif/ Updating files of 1558783, 1558784, 1558785, 1558786, 1558787 Original log message: Adding full bibliography for 1558783--1558787.cif.	1558783.cif
256133	2020-09-06	cif/ Updating files of 1558783, 1558784, 1558785, 1558786, 1558787 Original log message: Adding full bibliography for 1558783--1558787.cif.	1558783.cif
254831	2020-08-05	cif/ Adding structures of 1558783, 1558784, 1558785, 1558786, 1558787 via cif-deposit CGI script.	1558783.cif