Synthesis and X-ray Structures of Polymeric Calcium Carboxylates

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Abstract

The reactions of calcium hydroxide with pivalic, 1-naphthoic, and 2-furancarboxylic acids afford the corresponding polymeric calcium carboxylates. Depending on the crystallization conditions, calcium pivalate is isolated as two different coordination polymers: [Ca3(Piv)6(DMF)2]n · 0.635nC6H6 · 0.365nDMF (I) and [Ca(Рiv)(H2O)2.333(DMF)0.666]n · nРiv·0.333H2O (II). The synthesized calcium 1-naphthoate contains coordinated water molecules [Сa(Naph)2(H2O)2]n (III), and calcium furoate [Ca(Fur)2]n (IV) contains no ancillary ligands. The structures of compounds I–IV are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2342790–2342793, respectively). The structures of compounds I–III are characterized by the 1D polymeric structure, and compound IV is the 3D polymer.

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About the authors

A. S. Samulionis

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

J. K. Voronina

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

S. N. Melnikov

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

A. S. Gavronova

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

D. A. Utepova

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

N. V. Gogoleva

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

A. S. Goloveshkin

Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

D. S. Yambulatov

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

S. A. Nikolaevskii

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Author for correspondence.
Email: sanikol@igic.ras.ru
Russian Federation, Moscow

M. A. Kiskin

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

I. L. Eremenko

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: sanikol@igic.ras.ru
Russian Federation, Moscow

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Supplementary files

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2. Fig. 1. Structure of the polymer chain of compound I (thermal ellipsoids are shown with a 50% probability; hydrogen atoms and tert-butyl groups of substituents are not shown) (a). Crystal packing of compound I (b).

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3. Fig. 2. Structure of the polymer chain of compound II (thermal ellipsoids are shown with a 50% probability; hydrogen atoms are not shown) (a). Crystal packing of compound II (b). Minor components of disordered tert-butyl groups and coordinated DMFA molecule and water molecules with partial position occupancy are not shown.

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4. Fig. 3. Structure of the polymer chain of compound III (thermal ellipsoids are shown with a 50% probability; hydrogen atoms are not shown) (a). Crystal packing of compound III (b).

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5. Fig. 4. Structure of the fragment of polymer IV (thermal ellipsoids are shown with 50% probability; hydrogen atoms are not shown) (a). Crystal packing of compound IV (b).

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6. Supplementary
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