DOI: 10.1098/rspa.1981.0093. The crystal structures of three isomorphous trimesic acid channel inclusion complexes of polyhalide ions. A second example of triple catenation in the solid state

The crystal structures of three isomorphous trimesic acid channel inclusion complexes of polyhalide ions. A second example of triple catenation in the solid state

10.1098/rspa.1981.0093

Crossref journal-article

The Royal Society

Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences (175)

Abstract

The three polyhalide complexes of trim esic acid (benzene-1, 3, 5-tricarboxylic acid; TMA) with compositions TMA.0.7H 2 O. 0.09 HI 5 (I), TMA. 0.7H 2 O. 0.103 HBr 5 (II), TMA. 0.7H 2 O. 0.167 HIBr 2 (III) are isomorphous (for example, for I, a = 21.945(7), b = 17.917(6), c = 16.711(6) Å, the space group is 1222, Z = 24; II and III have very similar cell dimensions). Crystal structure analysis (four-circle diffractometer, graphite-monochro-mated MoKa: I, 2273reflexions, R = 12.2% ; III, 1747 reflexions, R = 12.4%) shows that all three have the same TMA fram ework, which consists of two mutually-perpendicular infinite hexagonal planar networks of hydrogen-bonded TMA molecules. The two networks are parallel to (110) and (11̄0) respectively and are mutually triply catenated. The arrangement is such as to leave channels of square cross section along the z -direction, which contain the linear polyhalide ions. I an d II have pentahalide ions incommensurable with the TMA framework; the diffuse scattering pattern from I allows the structure of the I - 5 ion to be determined as consisting of strongly interacting . . . I 2 - - - I - I 2 . . . units and it is inferred that Br - 5 has a similar structure. Compound III has IBr - 2 ions commensurable with the TMA framework, but some difficulties remain in the interpretration of these results. The TMA framework has additional voids in the region about 1/2, 0, 1/2 and these are occupied by the water molecules ( ca . sixteen per unit cell) in disordered fashion. The protons required to balance the charges of the polyhalide ions are presumably attached to some of these water molecules. The materials are characterized as crystalline acid-molecule complexes.

Bibliography

The crystal structures of three isomorphous trimesic acid channel inclusion complexes of polyhalide ions. A second example of triple catenation in the solid state. (1981). Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 376(1765), 301â318.

Authors 0

None

References 23 Referenced 25

Broekem a J . H av in g a E . E . & W iebenga E . H . 1957 crystallogr. 10 596. (10.1107/S0365110X57002078)
Davies J . E . & N u n n E . K . 1969 Chem. Commun. 1374.
D ucham p D. J . & M arsh R . E . 1969 Acta crystallogr. B 25 5-19. (10.1107/S0567740869001713)
E ndres H . K eller H . J . M egnam isi-Belom be M. M oroni W . P ritzk o w H . W eiss J . & Comes R . 1976 Acta crystallogr. A 32 954-957. (10.1107/S0567739476001988)
G uinier A. 1963 X -ra y diffraction in crystals imperfect crystals and amorphous bodies. San Francisco: W . H . F reem an & Co.
H erbstein F . H . 1968 Israel J . Chem. 6 IV p -v p .
{'key': 'p_7', 'first-page': '11', 'article-title': 'Z', 'volume': '154', 'author': 'H', 'year': '1981', 'journal-title': 'Kristallogr. Kristallgeom.'} / Kristallogr. Kristallgeom. / Z by H (1981)
H erbstein F . H . & K ap o n M. 1972 Acta crystallogr. A 28 S74-S75.
{'key': 'p_9', 'first-page': '199', 'article-title': 'P hil', 'volume': '291', 'author': 'H', 'year': '1979', 'journal-title': 'Trans. Soc. Lond. A'} / Trans. Soc. Lond. A / P hil by H (1979)
H erbstein F . H . K a p o n M . M a o r I. & R eisner G. M. 1981 b Acta crystallogr. B 37 136-140. (10.1107/S0567740881002355)
H erbstein F . H . & M arsh R . E . 1977 Acta crystallogr. B 33 2358-2367. (10.1107/S0567740877008528)
International tables fo r X -ra y crystallography 1965 vol. I p. 109. B irm ingham : K ynoch Press.
International tables fo r X -ra y crystallography 1974 vol. IV . B irm ingham : K ynoch Press.
Johnso n C. K . 1965 ORTEP - Oak Ridge N ational Laboratory Report ornl 3794 Oak R idge Tennessee.
K alina D. W . 1979 P h.D . thesis N orthw estern U niversity E v an sto n Illinois.
K apon M. 1973 D.Sc. thesis Technion - Israel In s titu te of Technology.
Leiserow itz L. 1976 Acta crystallogr. B 32 775-802. (10.1107/S0567740876003968)
M ain P . W oolfson M. M. Lessinger L. G erm ain G. & D eclerq J . P . 1977 M U L T A N A system of computer programmes fo r the automatic solution of crystal structures from X -ra y diffraction data. U niversities of Y ork E n g lan d a n d L ouvain Belgium .
{'key': 'p_19', 'first-page': '594', 'article-title': 'A n n . N .Y', 'volume': '313', 'author': 'M', 'year': '1978', 'journal-title': 'Acad. Sci.'} / Acad. Sci. / A n n . N .Y by M (1978)
M arks T. J . & K alin a D. W . 1979 P riv a te com m unication.
{'key': 'p_21', 'first-page': '2710', 'article-title': 'J . A m . chem', 'volume': '102', 'author': 'N', 'year': '1980', 'journal-title': 'Soc.'} / Soc. / J . A m . chem by N (1980)
{'key': 'p_22', 'first-page': '208', 'article-title': 'J . chem', 'author': 'P', 'year': '1947', 'journal-title': 'Soc.'} / Soc. / J . chem by P (1947)
Powell H . M. 1964 C lathrates. In N 438-490. New Y o rk a n d L ondon: A cadem ic Press. on-stoichiometriccompounds (ed. L. M andelcorn) pp.

Dates

Type	When
Created	18 years, 8 months ago (Dec. 18, 2006, 6:16 p.m.)
Deposited	4 years, 6 months ago (Feb. 18, 2021, 9:56 p.m.)
Indexed	1 year, 5 months ago (March 11, 2024, 7:33 p.m.)
Issued	44 years, 3 months ago (May 14, 1981)
Published	44 years, 3 months ago (May 14, 1981)
Published Online	28 years, 8 months ago (Jan. 1, 1997)
Published Print	44 years, 3 months ago (May 14, 1981)

Funders 0

None

BibTeX

@article{1981, volume={376}, ISSN={0080-4630}, url={http://dx.doi.org/10.1098/rspa.1981.0093}, DOI={10.1098/rspa.1981.0093}, number={1765}, journal={Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences}, publisher={The Royal Society}, year={1981}, month=may, pages={301–318} }

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