trans -Dichlorido(1,4,8,11-tetraazacyclotetradecane)manganese(III) tetrafluoridoborate (original) (raw)
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Aquachloridobis(2-{[3-(morpholin-4-yl)propyl]iminomethyl}phenolato)manganese(III) monohydrate
Acta Crystallographica Section E Structure Reports Online, 2011
In the title compound, [Mn(C 14 H 19 N 2 O 2) 2 Cl(H 2 O)]ÁH 2 O, the Mn III atom is N,O-chelated by two monoanionic Schiff bases, forming two six-membered chelate rings. One Cl atom and one water molecule in trans positions complete a distorted octahedral geometry around the metal atom. In the crystal, the complex molecules and the uncoordinated water molecules are connected via O-HÁ Á ÁN, O-HÁ Á ÁO and O-HÁ Á ÁCl hydrogen bonds into layers parallel to the ac plane and these are consolidated by C-HÁ Á Á interactions. The layers are further linked into a three-dimensional network through C-HÁ Á ÁO interactions. Related literature For the structure of a Zn II complex of the same Schiff base, see: Ikmal Hisham et al. (2011). For the structure of a similar Mn III complex, see: Huang et al. (2004). Experimental Crystal data [Mn(C 14 H 19 N 2 O 2) 2 Cl(H 2 O)]ÁH 2 O M r = 621.05 Triclinic, P1 a = 9.4831 (2) Å b = 12.4169 (3) Å c = 12.9518 (3) Å = 95.540 (1) = 90.306 (2) = 104.229 (1) V = 1470.72 (6) Å 3 Z = 2 Mo K radiation = 0.59 mm À1 T = 100 K 0.20 Â 0.16 Â 0.04 mm Data collection Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.892, T max = 0.977 13272 measured reflections 6393 independent reflections 4740 reflections with I > 2(I) R int = 0.034 Refinement R[F 2 > 2(F 2)] = 0.039 wR(F 2) = 0.093 S = 0.99 6393 reflections 373 parameters 4 restraints Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2745).
Acta Chimica Slovaca, 2014
The crystal structures of the title compounds, [Mn(phen)2Cl2] (I) and [Mn(bipy)2Cl2] (II), have been determined at 150 K. The manganese atoms in both compounds are coordinated by four pyridine nitrogen atoms from two 1,10-phenanthroline or 4,4´-bipyridine ligands and two chloride anions, resulting in a distorted cis-MnN4Cl2 octahedral geometry. Both complexes are connected through C-H・・・Cl hydrogen bonds into frameworks. The π-π stacking interactions are observed in crystal structure of both ones.
Inorganic Chemistry, 2003
and R ) Me (3), Et (5), or C 2 H 4 Cl (6); and X ) F -, R ) Me (4)] were prepared by a slightly modified procedure that includes the addition of HClO 4 . For the preparation of 4, MnF 2 was employed instead of MnCl 2 ‚4H 2 O. [Mn 2 O 2 (O 2 -CMe)Cl 2 (bpy) 2 ] 2 [MnCl 4 ]‚2CH 2 Cl 2 (1‚2CH 2 Cl 2 ) crystallizes in the monoclinic space group C2/c with a ) 21.756(2) Å, b ) 12.0587 Å, c ) 26.192(2) Å, R ) 90°, ) 111.443(2)°, γ ) 90°, V ) 6395.8(6) Å 3 , and Z ) 4. [Mn 2 O 2 (O 2 CMe)Cl(H 2 O)(bpy) 2 ](NO 3 ) 2 ‚H 2 O (2‚H 2 O) crystallizes in the triclinic space group P1 h with a ) 11.907(2) Å, b ) 12.376(2) Å, c ) 10.986(2) Å, R ) 108.24(1)°, ) 105.85(2)°, γ ) 106.57(1)°, V ) 1351.98(2) Å 3 , and Z ) 2. [Mn 2 O 2 (O 2 CMe)Cl(H 2 O)(bpy) 2 ](ClO 4 ) 2 ‚MeCN (3‚MeCN) crystallizes in the triclinic space group P1 h with a ) 11.7817(7) Å, b ) 12.2400(7) Å, c ) 13.1672(7) Å, R ) 65.537(2)°, ) 67.407(2)°, γ ) 88.638(2)°, V )
Mn(RaaiR)4(ClO4)2 (JCC, 2005, 58, 399-407).pdf
Mn(RaaiR 0 ) 4 ](ClO 4 ) 2 complexes have been synthesised by reacting Mn(ClO 4 ) 2 Á 6H 2 O and RaaiR 0 in methanol (RaaiR 0 ¼ 1-alkyl-2-arylazo)imidazole, R ¼ H (a), Me (b), Cl (c); R 0 ¼ Me (1), Et ). The orange-red crystalline compounds were characterised by microanalytical, spectroscopic, magnetic, thermal and electrochemical data. A single-crystal X-ray diffraction study of a DMF adduct of 1a revealed tetrahedral orientation of four ligands coordinating through imidazole-N while the azophenyl group (-N¼N-Ph) is pendant. Cyclic voltammetry shows the Mn(III)/Mn(II) couple at > 1.0 V along with azo reductions.
European Journal of Chemistry, 2019
The dinuclear compound, [Mn2(Pyala)2(Dca)2(H2O)]n·2H2O (1) (Pyala = N-(2-pyridylmethyl)-L-alanine and Dca = dicyanamide anion) has been synthesized and characterized by elemental analysis, IR and single crystal X-ray diffraction techniques. The crystal data for C22H26Mn2N10O6: orthorhombic, space group P212121 (no. 19), a = 10.3728(8) Å, b = 15.9780(12) Å, c = 16.3585(13) Å, V = 2711.2(4) Å3, Z = 4, T = 198(2) K, μ(MoKα) = 0.989 mm-1, Dcalc = 1.559 g/cm3, 129607 reflections measured (3.564° ≤ 2Θ ≤ 60.046°), 7923 unique (Rint = 0.0324, Rsigma = 0.0155) which were used in all calculations. The final R1 was 0.0169 (I > 2σ(I)) and wR2 was 0.0458 (all data). The obtained non-centrosymmetric dinuclear Mn(II) complex contains two unique Mn(II) cations with similar octahedral coordination environment. Photoluminescent measurements on the complex in the solid state show that it displays strong photoluminescence at 442 nm.
Inorganic Chemistry, 1993
Synthetic procedures are described that allow access to Mn403C14(OzCR)3(py)3 (R = aryl) complexes, complementing previous work with R = alkyl. Carboxylate exchange of the R = Me complex (2) with the appropriate arenecarboxylic acid leads to preparation of the R = 3S-Clz-Ph (3), Ph (4), 4-F-Ph (3, and 3,5-Fz-Ph (6) complexes. The crystal structure of 3 shows the [Mn403C1I6+ core to be essentially superimposable on that of 2. Crystal data for 3 at -171 OC are as follows: hexagonal, R3, u = 19.056(4) A, c = 28.271(6) A, V = 8888.25 A3, Z = 6, R (R,) = 0.0417 (0.0384) employing 1982 unique data with F > 3.0u(F). Variable-temperature magnetic susceptibility data are presented for 3 at 10.0 kG in the 5-320 K range. The p,rf/molecule value rises from 9.1 p~ at room temperature to a maximum of 9.72 p~ at 60.0 K and then decreases to 8.95 p~ at 5.01 K. Fitting of the data to the appropriate theoretical expression gave the following fitting parameters: J34 = -27.1 cm-I, J33 = +11.1 cm-I, and g = 1.95. These are similar to those for the R = Me complex (2) reported previously and similarly yield a well-isolated S = 9/2 ground state. This was confirmed by variable-field magnetization studies which verified an S = 9/2 ground state experiencing zero-field splitting ( D = 0.50 cm-I). The results of IH and zH NMR studies on 4-6 are presented, together with those for the 4-picoline (7) and 3,5-lutidine (8) derivatives. The observed sp&ra are qualitatively interpreted vis-a-vis the spin delocalization mechanisms that are operative. It is concluded that contact shifts via *-spin delocalization and dipolar shifts are both contributors to the pyridine I H and 2I-E chemical shifts. The greater solubility of the R = aryl derivatives (except 3 and 6) compared to R = alkyl derivatives has allowed better-resolved toluene glass EPR spectra to be obtained for complex 5 than was previously possible for the R = alkyl complexes. ( I ) (aMcCusker, J. K.;Schmitt,E. A.; Folting, K.;Hendrickson, D. N.; Christou, G. Inorg. Chem. 1991,30, 3486. (b) Bouwman, E.; Bolcar, M. A.; Libby, E.; Huffman, J. C.; Folting, K.; Christou, G. Folting, K.;Streib, W. E.; Schmitt, E. A.; McCusker, J. K.; Hendrickson, D. N.; Christou, G. Angew. Chem., Int. Ed. Engl. 1991, 30, 305. (6) (a) Hendricks0n.D. N.; Christou, G.;Schmitt,E. A.; Libby, E.; Bashkin, J. S.; Wang, S.; Tsai, H.-L.; Vincent, J. B.; Boyd, P. D. W.; Huffman, J. C.; Folting, K.; Li, Q.; Streib, W. E. J. Am. Chem. SOC. 1992, 114, 2455. (b) Bashkin, J. S.; Chang, H.-R.; Streib, W. E.; Huffman, J. C.; Hendrickson, D. N.; Christou, G. J. Am. Chem. SOC. 1987, 109, 6502. (8) (a) Caneschi, A.;Gatteschi, D.; Laugier, J.; Ray, P.;Sessoli, R.; Zanchini, C. J. Am. Chem. SOC. 1988, 110, 2795. (b) Boyd, P. D. W.; Li, Q.; Vincent, J. B.; Folting, K.; Chang, H.-R.; Streib, W. E.; Huffman, J. C.; Chrisotu, G.; Hendrickson, D. N. J . Am. Chem. SOC. 1988, 110, 8537. (c) Caneschi, A.; Gatteschi, D.; Sessoli, R.; Barra, A. L.; Brunel, L. C.; Guillot, M. J. Am. Chem. SOC. 1991,113,5873. (d) Schake, A. R.; Tsai, H.-L.; DeVries, N.; Webb, R. J.; Folting, K.; Hendrickson, D. N.;Christou, G. J. Chem.Soc., Chem. Commun. 1992,181. (e) Sessoli, R.; Tsai, H.-L.; Schake, A. R.; Wang, S.; Vincent, J. B.; Folting, K.; Gatteschi, D.; Christou, G.; Hendrickson, D. N.