Crystallography Open Database

Information card for entry 7704230

Preview

Coordinates	7704230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 F3 N4 O3 P3 S
Calculated formula	C16.333 H35.9991 F3 N3.9999 O3 P3.001 S
Title of publication	Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.
Authors of publication	Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	19
Pages of publication	6341 - 6354
a	13.739 ± 0.0002 Å
b	13.739 ± 0.0002 Å
c	13.739 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2593.38 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
252767 (current)	2020-06-05	cif/ Updating files of 7704230, 7704231, 7704232, 7704233, 7704234, 7704235, 7704236, 7704237, 7704238, 7704239 Original log message: Adding full bibliography for 7704230--7704239.cif.	7704230.cif
251299	2020-04-30	cif/ Adding structures of 7704230, 7704231, 7704232, 7704233, 7704234, 7704235, 7704236, 7704237, 7704238, 7704239 via cif-deposit CGI script.	7704230.cif