Crystallography Open Database

Information card for entry 4506487

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Structure parameters

Common name	Hexakis(4-fluorophenoxy)cyclotriphosphazene
Formula	C36 H24 F6 N3 O6 P3
Calculated formula	C36 H24 F6 N3 O6 P3
Title of publication	A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4031
a	30.949 ± 0.004 Å
b	7.9159 ± 0.0009 Å
c	17.106 ± 0.002 Å
α	90°
β	122.82 ± 0.002°
γ	90°
Cell volume	3521.8 ± 0.7 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4506487.cif
179600	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64.	4506487.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506487.cif
66193	2012-09-09	cif/ Adding structures of 4506483, 4506484, 4506485, 4506486, 4506487, 4506488, 4506489 via cif-deposit CGI script.	4506487.cif