Crystallography Open Database

Information card for entry 7056208

Preview

Coordinates	7056208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl4 F2 N8 P4
Calculated formula	C22 H30 Cl4 F2 N8 P4
SMILES	P1(Cl)(Cl)=NP2(=NP(=NP3(=N1)N(Cc1ccc(cc1)F)CCCN3C)(Cl)Cl)N(Cc1ccc(cc1)F)CCCN2C
Title of publication	Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes
Authors of publication	Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer
Journal of publication	New J. Chem.
Year of publication	2017
a	8.8404 ± 0.0003 Å
b	19.0391 ± 0.0005 Å
c	9.1699 ± 0.0003 Å
α	90°
β	101.828 ± 0.002°
γ	90°
Cell volume	1510.64 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
196820 (current)	2017-05-22	cif/ Adding structures of 7056206, 7056207, 7056208 via cif-deposit CGI script.	7056208.cif