Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
Crystals of the β-form of the title compound, 1,1,3,3-tetrafluoro-5,5-(2,2,3,3-tetrafluorotetramethylenedioxy)cyclotri(phosphazene), are triclinic, P{\bar 1}, with lattice constants a = 12.392 (2), b = 16.569 (3), c = 19.257 (4) Å, α = 110.22 (3), β = 90.02 (3), γ = 97.10 (3)° and V = 3677.9 (12) Å3 with Z = 12, to yield Pcalc = 2.010 Mg m−3 for Mr = 371.0 and F(000) = 2184. The structural data was refined to R = 0.0548 and wR = 0.0567 for 5536 observed reflections [|F| ≥ 3σ(F)] with a goodness-of-fit of 1.61 and a maximum residual of 0.47 e Å−3. The six crystallographically independent molecules are all structurally equivalent, with approximately the same orientation for each molecule. The molecules are roughly arranged in layers lying parallel to the ac plane. Two types of these layers exist within the structure. Each layer exhibits approximate noncrystallographic symmetry elements. For layers at y ~ {{1}\over{6}} and {{5}\over{6}}, the appropriate layer-group symmetry notation is pc2a, while the layer at y ~ {{1}\over{2}} has idealized p21/c11 symmetry. The difference in the symmetries of the two types of layers arises from different sequencing of molecules with right- and left-handed chirality. Both layer groups require β to be equal to 90°, explaining its observed value. The structure can be described as a polytype structure, in which stacking faults occur every third layer. An ABAABA stacking pattern exists, where A corresponds to the layer at y = {{1}\over{6}} and {{5}\over{6}} while B corresponds to the layer at y = {{1}\over{2}}. In addition, successive layers are related by the following set of idealized translation vectors

\eqalign{T_{A,B} & = T_{B,A} = ({1\over 2},{1\over 3},{1\over 3})\cr T_{A,A} & = (0,{1\over 3},{1\over 3}).}

Superimposed upon these translation vectors is modulation of the chirality of the molecules.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, cr0501a

CCDC reference: 131879

-1

Subscribe to Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds