Z. Kristallogr.

NCS 2016; 231(4): 1115–1116

Open Access

Mauricio Fuentealba*, Deborah González and Vania Artigas

Crystal structure of dichloridobis{µ2-2,2′-((1E,

1′E)-(ethane-1,2-diylbis(azanylylidene))bis
(methanylylidene))bis(4-chlorophenolato)-
κ5O,N,N′,O′:O′}diiron(III), C32H24Cl6Fe2N4O4
Table 1: Data collection and handling.

Crystal: Violet plate

Size 0.23 × 0.08 × 0.04 mm
Wavelength: Mo Kα radiation (0.71073 Å)
µ: 10.40 cm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω
2θmax , completeness: 52.8°, >99%
N(hkl)measured , N(hkl)unique , Rint : 32140, 3439, 0.088
Criterion for Iobs , N(hkl)gt : Iobs > 2 σ(Iobs ), 2530
N(param)refined : 217
Programs: Bruker programs [8], OLEX2 [9],
DOI 10.1515/ncrs-2016-0081 SHELX [10]
Received April 13, 2016; accepted June 7, 2016; available
online June 29, 2016
Table 2: Fractional atomic coordinates and isotropic or equivalent
isotropic displacement parameters (Å2 ).
Abstract
C32 H24 Cl6 Fe2 N4 O4 , triclinic, P1̄ (No. 2), a = 7.3325(10) Å, Atom x y z Uiso */Ueq
b = 9.1317(14) Å, c = 13.161(2) Å, α = 105.927(4)°, β=
Fe1 0.53007(6) 0.39682(5) 0.08307(3) 0.02262(13)
95.407(4)°, γ = 96.752(4)°, V = 834.1(2) Å3 , Z = 1,
Cl1 0.75085(11) 0.24620(10) 0.11124(7) 0.0391(2)
Rgt (F) = 0.0382, wRref (F 2 ) = 0.0897, T = 296.15 K. Cl2 0.2708(2) 0.72363(17) 0.61550(9) 0.0855(4)
Cl3 0.04111(18) 0.97578(15) 0.36323(11) 0.0859(5)
CCDC no.: 1483817
O1 0.5915(3) 0.5516(2) 0.21604(16) 0.0315(5)
The crystal structure is shown in the figure. Tables 1 and O2 0.3466(2) 0.5380(2) 0.03063(15) 0.0222(4)
N1 0.3240(3) 0.2933(3) 0.1539(2) 0.0281(6)
2 contain details of the measurement method and a list of
N2 0.3788(3) 0.2196(3) −0.0481(2) 0.0262(6)
the atoms including atomic coordinates and displacement C1 0.5165(4) 0.5849(4) 0.3052(2) 0.0325(7)
parameters. C2 0.5883(5) 0.7208(5) 0.3858(3) 0.0485(10)
H2 0.6903 0.7840 0.3762 0.058*
Source of material C3 0.5110(6) 0.7625(5) 0.4786(3) 0.0576(11)
Methanol was dried and distilled according to standard H3 0.5602 0.8540 0.5305 0.069*
procedures. 5-Chlorosalicylaldehyde, ethylendiamine and C4 0.3620(6) 0.6705(5) 0.4954(3) 0.0539(11)
C5 0.2897(5) 0.5360(5) 0.4200(3) 0.0498(10)
iron(II) chloride tetrahydrate were purchased from Aldrich
H5 0.1899 0.4733 0.4324 0.060*
and used without further purification. Crystals were C6 0.3642(5) 0.4905(4) 0.3233(3) 0.0351(8)
C7 0.2791(4) 0.3481(4) 0.2468(3) 0.0358(8)
H7 0.1828 0.2907 0.2667 0.043*
*Corresponding author: Mauricio Fuentealba, Instituto de Química, C8 0.2258(4) 0.1454(4) 0.0851(3) 0.0362(8)
Pontificia Universidad Católica de Valparaíso, Casilla 4059, H8A 0.1069 0.1221 0.1083 0.043*
Valparaíso, Chile, e-mail: mauricio.fuentealba@pucv.cl H8B 0.2976 0.0637 0.0883 0.043*
Deborah González and Vania Artigas: Instituto de Química, C9 0.1986(4) 0.1577(4) −0.0270(3) 0.0323(7)
Pontificia Universidad Católica de Valparaíso, Casilla 4059, H9A 0.1543 0.0572 −0.0772 0.039*
Valparaíso, Chile H9B 0.1089 0.2258 −0.0334 0.039*

© 2016 Mauricio Fuentealba et al., published by De Gruyter.

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1116 | Fuentealba et al.: C32 H24 Cl6 Fe2 N4 O4

Table 2 (continued) 3 oxygen atoms from hydroxyl and one terminal chlorido
ligand. The Fe2 O2 moiety is planar due to the inversion
Atom x y z Uiso */Ueq
centre, the Fe1· · · Fe1i distance is 3.2866(9) Å, close to similar
C10 0.4443(4) 0.1561(4) −0.1319(3) 0.0337(7) complexes (3.290, 3.296 and 3.221) [5–7].
H10 0.3730 0.0699 −0.1804 0.040*
C11 0.2755(4) 0.6414(3) 0.1056(2) 0.0271(7)
Acknowledgements: M.F acknowledges FONDECYT-Chile
C12 0.3759(4) 0.7904(4) 0.1572(2) 0.0305(7)
(Project 1130640) and D.I. Pontificia Universidad Católica de
C13 0.3018(5) 0.8905(4) 0.2381(3) 0.0386(8)
H13 0.3672 0.9879 0.2729 0.046* Valparaíso. V.A. acknowledges CONICYT for a Doctoral schol-
C14 0.1329(5) 0.8459(4) 0.2665(3) 0.0433(9) arship. The authors also acknowledges to FONDEQUIP EQM
C15 0.0357(5) 0.7010(4) 0.2173(3) 0.0402(8) 120095 for funding single-crystal diffractometer.
H15 −0.0777 0.6710 0.2374 0.048*
C16 0.1085(4) 0.6000(4) 0.1375(3) 0.0330(7) References
H16 0.0428 0.5022 0.1048 0.040*
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