Crystallography Open Database

Information card for entry 7704239

Preview

Coordinates	7704239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 F3 N4 O3 P2 S Sb
Calculated formula	C17 H36 F3 N4 O3 P2 S Sb
SMILES	[Sb]12(OS(=O)(=O)C(F)(F)F)[N]3(P(N(C(C)(C)C)P3N2C(C)(C)C)N1C(C)(C)C)C(C)(C)C
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	9.7212 ± 0.0003 Å
b	18.601 ± 0.0005 Å
c	15.2849 ± 0.0004 Å
α	90°
β	100.53 ± 0.0012°
γ	90°
Cell volume	2717.33 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0518
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.0568
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
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.	7704239.cif
251299	2020-04-30	cif/ Adding structures of 7704230, 7704231, 7704232, 7704233, 7704234, 7704235, 7704236, 7704237, 7704238, 7704239 via cif-deposit CGI script.	7704239.cif