A new class of easily generated TCNQ2--based coordination polymers

Crystal Growth and Design

Volumn 10, Issue 7, 2010, Pages 2860-2862

  Abrahams, Brendan F ^a   Elliott, Robert W ^a   Hudson, Timothy A ^a   Robson, Richard ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

3D COORDINATION; 4-METHYLPYRIDINE; BIPYRIDINES; COORDINATION POLYMERS; DIANIONS; ISOQUINOLINES; METAL CENTERS; PHENYLPYRIDINE; PYRIDINE DERIVATIVES; PYRIDYL; SHEET STRUCTURE; STARTING MATERIALS;

AMIDES; ETHYLENE; MANGANESE; POLYMERS; PYRIDINE; SHEET METAL;

ZINC;

EID: 78650685407     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg100568a     Document Type: Article

References (28)

1. (a) Melby, L. R.; Harder, R. J.; Hertler, W. R.; Mahler, W.; Benson, R. E.; Mochel, W. E. J. Am. Chem. Soc. 1962, 84, 3374.
2. (b) Hertler, W. R.; Mahler, W.; Melby, L. R.; Miller, J. S.; Putscher, R. E.; Webster, O. W. Mol. Cryst. Liq. Cryst. 1989, 171, 205.
3. Ferraris, J.; Cowan, D. O.; Walatka, V. V.; Perlstein, J. H. J. Am. Chem. Soc. 1973, 95, 948.
4. (a) Heintz, R. A.; Zhao, H.; Ouyang, X.; Grandinetti, G.; Cowen, J.; Dunbar, K. R. Inorg. Chem. 1999, 38, 144.
5. (b) Zhao, H.; Heintz, R. A.; Ouyang, X.; Grandinetti, G.; Dunbar, K. R.; Campana, C. F.; Rogers, R. D. Chem. Mater. 1999, 11, 736.
6. (c)Miyasaka, H.; Campos-Fernandez, C. S.; Clerac, R.; Dunbar, K. R. Angew. Chem., Int. Ed. 2000, 39, 3831.
7. (d) O'Kane, S. A.; Clerac, R.; Zhao, H.; Ouyang, X.; Galan-Mascaros, J. R.; Heintz, R.; Dunbar, K. R. J. Solid State Chem. 2000, 152, 159.
8. (e) Zhao, H.; Bazile, M. J.; Galan-Mascaros, J. R.; Dunbar, K. R. Angew. Chem., Int. Ed. 2003, 42, 1015.
9. (f) Lopez, N.; Zhao, H.; Prosvirin, A. V.; Chouai, A.; Shatruk, M.; Dunbar, K. R. Chem. Commun. 2007, 4611.
10. Miller, J. S.; Zhang, J. H.; Reiff, W. M.; Dixon, D. A.; Preston, L. D.; Reis, A. H., Jr.; Gebert, E.; Extine, M.; Troup, J.; Epstein, A. J.; Ward, M. D. J. Phys. Chem. 1987, 91, 4344.
11. Acker, D. S.; Hertler, W. R. J. Am. Chem. Soc. 1962, 84, 3370.
12. Suchanski,M. R.; Van Duyne, R. P. J. Am. Chem. Soc. 1976, 98, 250.
13. Abrahams, B. F.; Hudson, T. A.; Robson, R. Cryst. Growth Des. 2008, 8, 1123.
14. (a) All structures were solved and refined using SHELX-9711 within the WinGX12 suite of programs. The SQUEEZE routine within PLATON13 was employed in structures in which the solvent could not be satisfactorily modeled. Crystal data and refinement details for [Mn(TCNQ)(pyridine)2] · 2MeOH: C24H22MnN6O2, Mr 481.42, monoclinic,C2/m, a=15.725(3)Å, b=7.4496(8)Å, c=11.3104(16)Å, β=108.603(17)-,V=1255.7(3)Å 3,Z=2,μ=4.526mm-1,T=130(2) K, no. of measured (and independent) reflections 2037 (1199), wR2 (all data)=0.1750,R1 [I>2σ(I )]=0.0688.
15. (b) Crystal data and refinement details for [Zn(TCNQ)(pyridine)2] · 1/2MeOH: C22.50H16N6O0.50Zn, Mr 443.78, monoclinic, C2/m, a=15.5974(12) Å, b=7.3732(6) Å, c=11.2273(16)Å, β=109.061(10)°,V= 1220.4(2)Å 3,Z=2, T=130(2) K, no. of measured (and independent) reflections 3715 (3715),wR2 (all data)=0.1879, R1 [I>2σ(I)]=0.0699.
16. Crystal data for [Zn- (TCNQ)(quinoline)2]DMF: C33H25N7OZn, Mr 600.97, monoclinic, C2/c, a = 23.6373(14) Å, b = 15.9425(10) Å, c=7.3340(4) Å, β=106.397(5)°, V=2651.3(3) Å 3, Z=4, μ=1.628 mm-1, T=130(2) K, no. of measured (and independent) reflections 4810 (2423),wR2 (all data)=0.1522,R1 [I>2σ(I)]=0.0550.On the basis of cell dimensions, [Co(TCNQ)(quinoline)2]DMF is isostructural; a=23.626(6) Å, b= 15.870(5)Å, c=7.296(3) Å, β=106.54(3)°, V=2922.2(10) Å 3.
17. (d) Crystal data and refinement details for [Cd(TCNQ)(4-methylpyridine) 2] ·2MeOH: C26H26CdN6O2, Mr 566.93, monoclinic, C2/m, a = 18.622(5) Å, b=7.6404(8) Å, c=10.749(3) Å, β=122.27(3)°, V=1293.2(5)Å 3,Z=2, μ=7.037mm-1,T=130(2) K, no. ofmeasured (and independent) reflections 2213 (1328),wR2 (all data)=0.2165,R1 [I >2σ(I)]=0.0816. On the basis of cell dimensions [Mn(TCNQ)(4- methylpyridine)2] ·MeOH is isostructural; a=19.165(14) Å, b = 7.5148(12) Å, c=10.743(7) Å, β=122.94(11)°, V = 1298.5(8) Å 3.
18. (e) Crystal data and refinement details for [Zn(TCNQ)(4-phenylpyridine) 2] ·2MeOH: C36H30N6O2Zn,Mr 644.03, monoclinic, P21/n, a= 10.9343(3) Å, b=7.3954(2)Å, c = 22.5187(6) Å, β=93.059(3)°, V= 1818.35(9)Å 3, Z=2, μ=1.231 mm-1, T=130(2) K, no. of measured (and independent) reflections 6871 (3431), wR2 (all data)=0.0741, R1 [I > 2σ(I)]=0.0742.
19. (f) Crystal data and refinement details for [Zn(TCNQ)(nicotinamide)2]DMF: C27H23N9O3Zn, Mr 586.91, monoclinic, C2/c, a = 23.985(6) Å, b = 15.449(4) Å, c = 7.340(2) Å, β=107.60(2)°, V=2592.5(12)Å 3, Z =4, μ=0.997mm-1, λ= 0.77373Å (data collected at the Australian Synchrotron), T=100(2) K, no. of measured (and independent) reflections 13147 (2016), wR2 (all data)=0.2303, R1 [I > 2σ(I)]=0.0919.
20. (g) Crystal data and refinement details for [Mn2(TCNQ)2(bipy)2] · 13MeOH: C57H76- Mn2N12O13, Mr 1247.18, tetragonal, P4/ncc, a=17.2551(4) Å, c= 23.1856(7)Å, V=6903.2(3)Å 3, Z=4, μ=3.500mm-1, T=130(2) K, no. of measured (and independent) reflections 13482 (3421), wR2 (all data)=0.1336, R1 [I>2σ(I)]=0.0517. On the basis of cell dimensions, [M2(TCNQ)2(bipy)2] ·13MeOH (M= Fe, Co, Zn, and Cd) are isostructural; M=Fe, a=17.3026(7) Å, c=22.938(2) Å, V=6867(2) Å 3;M=Co, a=17.2405(12)Å, c=22.704(4)Å ,V=6748(1)Å 3;M=Zn, a=17.3927(2) Å, c=22.8122(5) Å, V=6900.8(5) Å 3; M=Cd: a=17.5029(4)Å, c=23.4820(6)Å, V=7193.8(5)Å 3.
21. (h) Crystal data and refinement details for [Zn(TCNQ)(bpe)] · 4DMF: C36H42N10-O4Zn, Mr 744.17, monoclinic, P2/m, a=10.9623(9) Å, b=7.3937(6) Å, c=12.6331(14) Å, β=109.510(11)°, V=965.15(15) Å 3, Z=1, μ= 1.295 mm-1, T = 130(2) K, no. of measured (and independent) reflections 3262 (1968), wR2 (all data)=0.1367, R1 [I > 2σ(I)]= 0.0527.
22. (i) Crystal data and refinement details for [Cd(TCNQ)- (bpe)] 3 8MeOH: C32H46CdN6O8, Mr 755.16, monoclinic, P21/c, a= 14.0082(7)Å, b=12.4871(4)Å, c=12.3464(6)Å, β=113.763(6)°, V= 1976.56(18)Å 3,Z=2, μ=4.844mm-1, T=130(2)K, no. ofmeasured (and independent) reflections 7269 (3808), wR2 (all data)=0.1595, R1 [I > 2σ(I)] = 0.0692.
23. (j) Crystal data for [Zn2(TCNQ)2- (Obip)(MeOH)2](DMF)2: C42H38N12O6Zn2, Mr 937.58, monoclinic, P21/n, a=7.83660(10) Å, b = 17.4153(2) Å, c = 14.7632(2) Å, β = 95.4390(10)°,V=2005.76(4)Å 3,Z=2, μ=2.022mm-1,T=130(2) K, no. ofmeasured (and independent) reflections 8098 (3605), wR2 (all data) =0.0777, R1 [I>2σ(I)] =0.0302.
24. The following paper reported a TCNQ2-containing compound, obtained inadvertently from TCNQ•-, of composition [Zn2+ - (TCNQ2-)(4,4′- bipyridine)] with the same 3D network structure: Shimomura, S.;Matsuda,R. ;Tsujino, T.;Kamamura, T.;Kitagawa, S. J. Am. Chem. Soc. 2006, 128, 16416.
25. Hudson, T. A.; Robson, R. Cryst. Growth Des. 2009, 9, 1658.
26. Sheldrick, G. M. SHELX-97, Program for Crystal Structure Analysis; University of Gottingen: Germany, 1997.
27. Farrugia, L. J. J. Appl. Crystallogr. 1999, 32, 837.
28. Spek, A. L. PLATON, A Multipurpose Crystallographic Tool; Utrecht University: Utrecht, The Netherlands, 2005.