Crystallography Open Database

Information card for entry 7056206

Preview

Coordinates	7056206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl4 F2 N8 P4
Calculated formula	C20 H26 Cl4 F2 N8 P4
SMILES	c1(ccc(cc1)F)CN1CCN(P21=NP(Cl)(Cl)=NP1(=NP(=N2)(Cl)Cl)N(Cc2ccc(cc2)F)CCN1C)C
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	8.5886 ± 0.0002 Å
b	9.2505 ± 0.0003 Å
c	9.5924 ± 0.0003 Å
α	75.382 ± 0.003°
β	71.148 ± 0.003°
γ	87.868 ± 0.003°
Cell volume	697.06 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7056206.cif