Home Physical Sciences The crystal structure of poly[bis(dimethylformamide-κ1N)-(μ4-2′,3,3″,5′-tetrakis(trifluoromethyl)-[1,1′:4′,1″-terphenyl]-4,4″-dicarboxylato-κ4 O,O′: O″,O‴)dicadmium(II)], C27H15CdF12NO5
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The crystal structure of poly[bis(dimethylformamide-κ1N)-(μ4-2′,3,3″,5′-tetrakis(trifluoromethyl)-[1,1′:4′,1″-terphenyl]-4,4″-dicarboxylato-κ4 O,O′: O″,O‴)dicadmium(II)], C27H15CdF12NO5

  • Yao-Hua Sun , Zhi-Jian Li , Ping Hao , Liang-Liang Zhang and Jing Hao ORCID logo EMAIL logo
Published/Copyright: June 27, 2025

Abstract

C27H15CdF12NO5, orthorhombic, Pnma (no. 62), a = 7.6643(3) Å, b = 31.5516(10) Å, c = 11.1830(4) Å, V = 2704.28(17) Å3, Z = 4, R gt(F) = 0.0359, wR ref(F 2) = 0.0906, T = 100 K.

CCDC no.: 2443859

The molecular structure is shown in the figure. Table 1 contains the crystallographic data and the list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.

Table 1:

Data collection and handling.

Crystal: Clear whitish block
Size: 0.20 × 0.14 × 0.1 0mm
Wavelength: CuKα radiation (1.54184 Å)
μ: 7.63 mm−1
Diffractometer, scan mode: Rigaku synergy R, ω scans
θ max, completeness: 76.2°, 100 %
N(hkl)measured , N(hkl)unique, R int: 9169, 2754, 0.028
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 2734
N(param)refined: 268
Programs: Rigaku, 1 Shelx, 2 Olex2 3

1 Source of material

The reagents were purchased from standard commercial sources and used without further purification. The 2′,3,3″,5′-tetrakis(trifluoromethyl)-[1,1′:4′,1″-terphenyl]-4,4″-dicarboxylic acid (H2TPDC-4CF3) was synthesized according to literature. 4 The preparation of the title crystal is similar to the previously reported literature procedure. 5 , 6 A mixture of H2TPDC-4CF3 (6.0 mg 0.01 mmol) and Cd(NO3)2·4H2O (6.0 mg 0.02 mmol) were dispersed in a mixed solution of N,N-dimethyl formamide (1.5 mL) and methyl alcohol (1.5 mL) and sealed in a caped glass bottle at 375 K for 72 h. The colourless block crystals suitable for X-ray single crystal diffraction analysis were prepared with the yield of 60 % based on H2TPDC-4CF3.

2 Experimental details

The initial crystal structure was solved and refined by Olex2 and SHELXS. 2 , 3 Anisotropic displacement parameters were assigned to all non-hydrogen atoms. Hydrogen atoms were located at geometrically calculated positions and refined with fixed thermal factors.

3 Comment

Metal-organic frameworks (MOFs) have attracted tremendous interest as a promising class of functional crystalline porous materials. 7 , 8 , 9 , 10 With the development of crystal engineering, the structures of MOFs can be predesigned and predicted according to several useful strategies such as reticular chemistry and soft/hard acid/base principle. In addition, the performance and structures of MOFs also could be significantly improved by introducing functional ligands containing F-carboxylic acids. 11 , 12 , 13 , 14 Recently, the LZPU-3 was obtained by using H2TPDC-4CF3 and Cd(NO3)2·4H2O under solvothermal conditions.

The asymmetric structural unit consists of one Cd atoms, one half of a deprotonated H2TPDC-4CF3 ligand, and one coordinated DMF molecule. The Cd(II) atom is coordinated with six oxygen atoms from four deprotonated H2TPDC-4CF3 ligands and one oxygen atom from coordinated DMF molecule, which form a seven-coordinated monocapped trigonal prism configuration. This deprotonated H2TPDC-4CF3 ligand adopts a tridentate bridging coordination mode. The Cd–O bond lengths fall in the range 2.267(3)–2.496(2) Å. In LZPU-3, the three benzene rings of the H2TPDC-4CF3 ligand are respectively located on two planes. Among them, R1 and R3 are on one plane while R2 is on the other plane. The angle between the two planes is 68.34° and this phenomenon is rare in previously reported MOFs materials. 15 , 16


Corresponding author: Jing Hao, School of Applied Chemical Engineering, Lanzhou Petrochemical University of Vocational Technology, Lanzhou, 730000, People’s Republic of China, E-mail:

Funding source: Education Department of Gansu Province

Award Identifier / Grant number: No. 2021CYZC-66

Funding source: Gansu Provincial Party Committee Organization Department

Award Identifier / Grant number: No. 2022LQTD-33

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was supported by the Industry support project of Education Department of Gansu Province (No. 2021CYZC-66), and Gansu Provincial Party Committee Organization Department “Longyuan Youth Innovation and entrepreneurship talent (team)” project (No. 2022LQTD-33), and Gansu Provincial College Students’ Innovation Training Program Project.

  3. Conflict of interest: The authors declare no conflicts of interest regarding this article.

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Received: 2025-04-14
Accepted: 2025-06-19
Published Online: 2025-06-27
Published in Print: 2025-10-27

© 2025 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

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