Startseite Naturwissenschaften Crystal structure of bis[(3,4-dimethoxybenzyl)triphenylphosphonium]di-μ2-bromido-dibromidodicopper(I)
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Crystal structure of bis[(3,4-dimethoxybenzyl)triphenylphosphonium]di-μ2-bromido-dibromidodicopper(I)

  • Jiayan Wang , Qianyou Su , Yuan Gao , Liguo Li und Xiuhua Li ORCID logo EMAIL logo
Veröffentlicht/Copyright: 24. Oktober 2025

Abstract

C54H52Br4Cu2O4P2, triclinic, P 1 (no. 2), a = 9.9855(4) Å, b = 10.5557(4) Å, c = 13.3955(5) Å, α = 69.662(3), β = 78.316(3), γ = 79.167(3), V = 1285.81 Å3, Z = 1, Rgt (F) = 0.0446, wR ref (F2) = 0.1110, T = 305.00(10) K.

CCDC no.: 2477053

Table 1 contains the crystallographic data. 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: Block, clear light colourless
Size: 0.12 × 0.1 × 0.1 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 4.04 mm−1
Diffractometer, scan mode: XtaLAB Synergy R, ω-scans
θmax, completeness: 25°, >99 %
N(hkl)measured, N(hkl)unique, Rint: 13810, 4543, 0.032
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3,632
N(param)refined: 300
Programs: CrysAlisPRO, 1 SHELX, 2 , 3 OLEX2 4

1 Source of materials

The (3,4-dimethoxybenzyl)triphenylphosphonium bromide (0.5 mmol) and CuBr (0.5 mmol) were placed into a clean glass vial. Subsequently, 2 mL of ethanol, 100 μL of hydrobromic acid, and 200 μL of hypophosphorous acid were added, and the mixture was stirred for 15 min. The CH2Cl2 (2 mL) was then introduced to form a clear solution. The resulting solution was filtered and left at room temperature to allow for slow evaporation. After five days, colorless transparent single crystals were obtained.

2 Experimental details

Single-crystal X-ray diffraction data were collected using a Rigaku diffractometer. 1 The structure was solved with the Shelxt program and refined using Shelxl within the Olex2. 2 , 3 , 4 The H atoms were placed in geometrically idealized positions.

3 Comment

Among zero-dimensional metal halides, copper(I)-based halides have emerged as promising competitors for optoelectronic functional materials, owing to their abundant coordination configurations, high photoluminescence quantum yields (Plqys), and exceptional structural designability, etc. 5 , 6 In this work, one zero-dimensional copper(I)-based halide was synthesized. As shown in left part of the picture, its asymmetric unit contains one (3,4-dimethoxybenzyl)triphenylphosphonium (DOMBTP) cation and one half of a Cu2Br42− anion. The bonds lengths of Cu1–Br1, Cu1–Br2 are 2.305, 2.412 Å, falling within the normal range reported in the literature. 7 , 8 As shown in right part of the picture, its packing structure is zero-dimensional, containing [Cu2Br4]2− clusters and DOMBTP organic ligands.


Corresponding author: Xiuhua Li, School of Biological and Pharmaceutical Engineering, Jilin Agricultural Science and Technology College, 132101 Jilin, Jilin, China, E-mail:

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

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

  3. Research funding: This work was funded by scientific research project of Jilin Agricultural Science and Technology College, No. [20200004].

References

1. Rigaku Oxford Diffraction. CrysAlispro; Rigaku Oxford Diffraction Ltd: Yarnton, Oxfordshire, England, 2015.Suche in Google Scholar

2. Sheldrick, G. M. Shelxt-Integrated Space-Group and Crystal-Structure Determination. Acta Crystallogr. 2015, A71, 3–8; https://doi.org/10.1107/s2053273314026370.Suche in Google Scholar PubMed PubMed Central

3. Sheldrick, G. M. Crystal Structure Refinement with Shelxl. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar PubMed PubMed Central

4. Dolomanov, O. V.; Bourhis, L. J.; Gildea, R. J.; Howard, J. A. K.; Puschmann, H. Olex2: A Complete Structure Solution, Refinement and Analysis Program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Suche in Google Scholar

5. Wu, J. -J.; Qi, J. -L.; Guo, Y.; Yan, S. -F.; Liu, W. -L.; Guo, S. -P. Reversible Tri-state Structural Transitions of Hybrid Copper(I) Bromides toward Tunable Multiple Emissions. Inorg. Chem. Front. 2024, 11, 156–163; https://doi.org/10.1039/d3qi01739g.Suche in Google Scholar

6. Niu, C. -Y.; Jiang, H. Crystal Structure of {[(4-fluorophenyl)methyl]triphenylphosphonium}Dibromocopper(I), [C25H21FP]+[CuBr2]−. Z. Kristallogr. – N. Cryst. Struct. 2025, 240, 167–169; https://doi.org/10.1515/ncrs-2024-0428.Suche in Google Scholar

7. Wang, Q. -Q.; Li, H. -B.; Tong, H.; Zhu, J. -L.; Fan, J. -L.; Pan, S. -F.; Zhou, Z. -N.; Liu, W.; Ouyang, G. -F. Copper Mixed-Halide Hybrids with Intrinsic Broadband White-Light Emission for Wled Application with Ultrahigh Color Rendering Index. Small 2025, 21, 2500660; https://doi.org/10.1002/smll.202500660.Suche in Google Scholar PubMed

8. Lin, N.; Li, Y. -X.; Liu, Y.; Sun, K. -Q.; Zhang, H. -Y.; Lei, X. -W.; Chen, Z. -W. Broadband Blue Light Emissions of One-Dimensional Hybrid Cu(I) Halides with Ultrahigh Anti-water Stability. Dalton Trans. 2024, 53, 16577–16584; https://doi.org/10.1039/d4dt02072c.Suche in Google Scholar PubMed

Received: 2025-08-05
Accepted: 2025-10-02
Published Online: 2025-10-24
Published in Print: 2025-12-17

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

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

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (1Z, 2Z)-3-phenyl-2-propenal 2-(4-bromo-2-fluorophenyl)hydrazone, C15H12BrFN2
  4. Refinement of crystal structure of 2-(2,3-dihydro-3-oxo-1 H -inden-1-ylidene)-1 H -indene-1,3(2 H )-dione C18H10O3
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  6. Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14
  7. Crystal structure of poly[triaqua-(μ9-biphenyl-3,3′,5,5′-tetracarboxylic-κ8 O,O:O,O′: O,O″:O,O‴)samarium(III)sodium(I)], C16H12NaSmO11
  8. The crystal structure of 5-benzyl-1-(4-fluorobenzyl)-4-((4-fluorobenzyl)oxy)-1,5-dihydro-2H-pyrrol-2-one, C25H21F2NO2
  9. The crystal structure of diammonium 2,5-dihydroxyterephthalate, C8H12N2O6
  10. Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4
  11. Crystal structure of poly[oktakis(μ2-oxido-κ2O:O)-tetrakis(oxido-κ1O)-bis(μ2-1,1′-[1,4-phenylenebis(methylene)]di(1H-imidazole-κ2N:N′))-tetravanadium(V)-dizinc(II)] monohydrate, C28H30Zn2N8O13V4
  12. Crystal structure of acotiamide hydrochloride dimethylacetamide solvate (1/1), C25H40ClN5O6S
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  16. Crystal structure of 2,7-bis(3,5-diethyl-1H-pyrazol-4-yl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, C28H26N6O4
  17. Crystal structure of 2-(4-chlorophenyl)benzothiazole, C13H8ClNS
  18. Synthesis and crystal structure (3R,4′S)-4′-(3,5-dibromophenyl)-1′-methyl-2H-dispiro [benzofuran-3,3′-pyrrolidine-2′,2″-indene]-1″,2,3″-trione, C26H17Br2NO4
  19. Crystal structure of bis(((3a,7a-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)methyl) triphenylphosphonium) tetrachloridomanganate(II), C50H42Cl4MnN6P2
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  22. The crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione monohydrate, C7H6N2O4
  23. Crystal structure of 4-((cyclohexylsulfonyl)methyl)-1,2,3,4-tetrahydrobenzo [4,5]imidazo[1,2-a]pyridine, C18H24N2O2S
  24. Crystal structure of 4,7-diphenyl-1,10-phenanthroline-κ2N,N′)-bis(2,4-di(fluorine)-1-phenylpyridine-κ2C,N)-iridium(III) hexafluorophosphate–dichloromethane (1/1), C47H30Cl2F10IrN4P
  25. Crystal structure of (4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, C19H15BN2O2
  26. The crystal structure of (E)-(2-((pyridin-2-ylmethylene)amino)phenyl)arsonic acid, C12H11AsN2O3
  27. The crystal structure of N(benzyl(phenyl)carbomothioyl)benzamide, C21H18N2OS
  28. The crystal structure of bis(2-picolinium) hexachlorostannate dichloromethane monosolvate, C13H18Cl8N2Sn
  29. Crystal structure of poly[tetraaqua-bis(μ4-3–1-(carboxylatomethyl)-1H-1,2,4-triazole-3-carboxylato)-κ4O:O′,O″,N)zinc(II)], C5H7N3O6Zn
  30. The crystal structure of the co-crystal isonicotinamide – 2-(nitrophenyl)methanol (1/1), C6H6N2O·C7H7NO3
  31. The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-fluorobenzoate hydrate, C23H25F2N3O6
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  33. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl) (2-iodo-5-methoxyphenyl)methanone, C20H20INO5
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