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The title mononuclear iron(II) complex, [Fe(C12H8N2)3](NCS)2·3H2O, has a slightly distorted octa­hedral coordination. One of the thio­cyanate ions and one of the water mol­ecules of crystallization show positional disorder.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100005539/qa0272sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100005539/qa0272Isup2.hkl
Contains datablock I

CCDC reference: 145636

Comment top

The October 1999 release of the Cambridge Structural Database (Allen & Kennard, 1993) contains 12 crystal structures which involve the title complex cation, i.e. [Fe(phen)3]2+. Among them, those of the simple inorganic counter-ions are [Fe(phen)3]I2·H2O·C6H5NO2 (Fujiwara et al., 1984), [Fe(phen)3]I2·2H2O (Johansson et al., 1978) and [Fe(phen)3](ClO4)2·0.5H2O (Koh et al., 1978).

Mechanochemical effects on the molecular structures, chemical states and magnetic properties have been investigated for the title compound, (I), by Tsuchiya et al. (1996).

Experimental top

Crystals of the title compound, [Fe(phen)3](NCS)2·3H2O, were grown from an aqueous solution.

Refinement top

There is a positional disorder of NCS- ion (N8—C38—S2) and one water molecule of crystallization (O5). It was assumed that occupancy factors of two possible combinations (N8—C38—S2 and O5, and N8*—C38*—S2 and O5*) are 50% each, and their positional parameters were refined isotropically. H-atom positional parameters of [Fe(phen)3]2+ were calculated geometrically and fixed with Uiso(H) = 1.2Ueq(parent atom). H atoms of water of crystallization were not introduced. The residual density of 1.27 e Å-3 was located at 0.09 Å from the S2 atom.

Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: TEXSAN.

(I) top
Crystal data top
[Fe(C12H8N2)3](NCS)2·3H2OZ = 2
Mr = 766.67Dx = 1.431 Mg m3
Triclinic, P1Mo Kα radiation, λ = 0.71073 Å
a = 12.083 (3) ÅCell parameters from 25 reflections
b = 14.234 (4) Åθ = 14.9–15.0°
c = 12.050 (2) ŵ = 0.59 mm1
α = 93.19 (2)°T = 295 K
β = 109.53 (1)°Prismatic, violet
γ = 111.55 (2)°0.6 × 0.5 × 0.5 mm
V = 1778.7 (8) Å3
Data collection top
Rigaku AFC-7R
diffractometer
Rint = 0.007
θ–2θ scansθmax = 30.0°
Absorption correction: ψ scan
(North et al., 1968)
h = 016
Tmin = 0.658, Tmax = 0.744k = 2020
10804 measured reflectionsl = 1616
10354 independent reflections3 standard reflections every 150 reflections
8387 reflections with I > 2σ(I) intensity decay: none
Refinement top
Refinement on F2H-atom parameters not refined
R[F2 > 2σ(F2)] = 0.062 w = 1/[σ2(Fo2) + (0.1141P)2 + 1.4911P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.201(Δ/σ)max = 0.001
S = 1.03Δρmax = 1.27 e Å3
8387 reflectionsΔρmin = 1.55 e Å3
461 parameters
Crystal data top
[Fe(C12H8N2)3](NCS)2·3H2Oγ = 111.55 (2)°
Mr = 766.67V = 1778.7 (8) Å3
Triclinic, P1Z = 2
a = 12.083 (3) ÅMo Kα radiation
b = 14.234 (4) ŵ = 0.59 mm1
c = 12.050 (2) ÅT = 295 K
α = 93.19 (2)°0.6 × 0.5 × 0.5 mm
β = 109.53 (1)°
Data collection top
Rigaku AFC-7R
diffractometer
8387 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.007
Tmin = 0.658, Tmax = 0.7443 standard reflections every 150 reflections
10804 measured reflections intensity decay: none
10354 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.062461 parameters
wR(F2) = 0.201H-atom parameters not refined
S = 1.03Δρmax = 1.27 e Å3
8387 reflectionsΔρmin = 1.55 e Å3
Special details top

Refinement. Refinement using reflections with F2 > 0.0 σ(F2). The weighted R-factor (wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero for negative F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Fe10.93955 (3)0.21150 (2)0.25216 (3)0.0334 (1)
S10.6416 (1)0.12515 (9)0.5754 (1)0.0760 (3)
S20.3762 (4)0.3022 (3)0.7060 (4)0.20388 (2)*
O30.0083 (3)0.4281 (3)0.9214 (3)0.0875 (9)
O40.2062 (4)0.3535 (3)0.9860 (4)0.105 (1)
O50.2032 (4)0.1930 (3)0.7542 (4)0.03943 (1)*0.50
O5*0.5474 (8)0.5341 (7)0.9069 (8)0.09300 (3)*0.50
N11.0555 (2)0.1466 (2)0.3327 (2)0.0408 (4)
N21.1026 (2)0.3249 (2)0.2679 (2)0.0380 (4)
N30.9486 (2)0.2783 (2)0.4053 (2)0.0366 (4)
N40.8378 (2)0.2899 (2)0.1828 (2)0.0383 (4)
N50.7775 (2)0.0928 (2)0.2301 (2)0.0403 (4)
N60.9115 (2)0.1386 (2)0.0946 (2)0.0403 (4)
N70.7676 (4)0.2661 (3)0.7916 (3)0.092 (1)
N80.5282 (8)0.4907 (7)0.8999 (7)0.07058 (2)*0.50
N8*0.1952 (7)0.1990 (6)0.7866 (7)0.06293 (2)*0.50
C11.1821 (3)0.2085 (2)0.3605 (2)0.0445 (5)
C21.2074 (3)0.3058 (2)0.3264 (2)0.0436 (5)
C31.0286 (4)0.0534 (2)0.3601 (3)0.0533 (7)
C41.1244 (5)0.0196 (3)0.4164 (4)0.069 (1)
C51.2510 (5)0.0827 (4)0.4472 (4)0.074 (1)
C61.2838 (3)0.1805 (3)0.4187 (3)0.0604 (8)
C71.4120 (4)0.2520 (5)0.4421 (4)0.082 (1)
C81.4358 (3)0.3451 (4)0.4090 (4)0.080 (1)
C91.3344 (3)0.3759 (3)0.3504 (3)0.0586 (8)
C101.3520 (3)0.4708 (3)0.3140 (3)0.0656 (9)
C111.2468 (4)0.4891 (2)0.2558 (3)0.0595 (8)
C121.1237 (3)0.4148 (2)0.2330 (3)0.0466 (6)
C130.8797 (2)0.3372 (2)0.3883 (2)0.0384 (5)
C140.8203 (2)0.3445 (2)0.2671 (2)0.0393 (5)
C151.0063 (3)0.2712 (2)0.5178 (2)0.0452 (6)
C160.9959 (3)0.3192 (3)0.6161 (2)0.0537 (7)
C170.9257 (3)0.3772 (3)0.5989 (3)0.0535 (7)
C180.8657 (3)0.3887 (2)0.4820 (3)0.0464 (6)
C190.7925 (3)0.4500 (3)0.4519 (3)0.0580 (8)
C200.7381 (3)0.4583 (3)0.3368 (4)0.0593 (8)
C210.7510 (3)0.4054 (2)0.2405 (3)0.0483 (6)
C220.6984 (3)0.4109 (3)0.1186 (3)0.0592 (8)
C230.7172 (3)0.3570 (3)0.0341 (3)0.0546 (7)
C240.7865 (3)0.2973 (2)0.0685 (2)0.0450 (5)
C250.7279 (3)0.0257 (2)0.1231 (2)0.0465 (6)
C260.8023 (3)0.0499 (2)0.0506 (2)0.0462 (6)
C270.7086 (3)0.0731 (2)0.2991 (3)0.0497 (6)
C280.5906 (3)0.0116 (3)0.2661 (3)0.0625 (8)
C290.5423 (3)0.0805 (3)0.1608 (4)0.072 (1)
C300.6112 (4)0.0624 (3)0.0837 (3)0.0649 (9)
C310.5716 (5)0.1274 (4)0.0294 (4)0.098 (2)
C320.6421 (5)0.1050 (4)0.0970 (4)0.101 (2)
C330.7605 (4)0.0149 (3)0.0602 (3)0.0684 (10)
C340.8402 (5)0.0136 (3)0.1263 (4)0.081 (1)
C350.9491 (4)0.1017 (3)0.0821 (3)0.071 (1)
C360.9836 (3)0.1631 (2)0.0290 (3)0.0515 (6)
C370.7167 (3)0.2075 (3)0.7027 (3)0.0548 (7)
C380.454 (2)0.402 (2)0.817 (2)0.16803 (9)*0.50
C38*0.269 (1)0.2452 (8)0.7574 (9)0.08233 (3)*0.50
H30.94050.00810.33890.0643*
H41.10070.04800.43340.0793*
H51.31510.05880.48620.0895*
H71.48410.23540.47890.0970*
H81.52270.39200.42590.0903*
H101.43680.52290.33150.0764*
H111.25750.55270.22910.0724*
H121.05050.42840.19070.0568*
H151.05750.23190.53150.0547*
H161.03720.31050.69510.0636*
H170.91790.41070.66450.0639*
H190.78180.48550.51450.0684*
H200.68980.49950.32000.0711*
H220.65070.45150.09430.0710*
H230.68230.36020.04860.0658*
H240.79820.25940.00790.0526*
H270.74140.11880.37360.0600*
H280.54420.02040.31710.0744*
H290.46360.14030.13930.0855*
H310.49510.19000.05450.1179*
H320.61160.14710.17460.1129*
H340.81580.02840.20310.0959*
H351.00580.12230.12580.0828*
H361.06040.22420.05870.0613*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0364 (2)0.0330 (2)0.0294 (2)0.0100 (1)0.0155 (1)0.0061 (1)
S10.0644 (5)0.0778 (6)0.0698 (6)0.0178 (5)0.0243 (5)0.0161 (5)
O30.080 (2)0.080 (2)0.083 (2)0.017 (2)0.027 (2)0.003 (2)
O40.106 (3)0.089 (2)0.122 (3)0.025 (2)0.061 (2)0.019 (2)
N10.049 (1)0.043 (1)0.0355 (10)0.0197 (9)0.0196 (9)0.0098 (8)
N20.0400 (10)0.0366 (9)0.0340 (9)0.0088 (8)0.0181 (8)0.0044 (7)
N30.0401 (10)0.0366 (9)0.0314 (9)0.0113 (8)0.0166 (8)0.0058 (7)
N40.0389 (10)0.041 (1)0.0342 (9)0.0131 (8)0.0161 (8)0.0091 (8)
N50.040 (1)0.041 (1)0.0355 (10)0.0094 (8)0.0161 (8)0.0086 (8)
N60.048 (1)0.038 (1)0.0348 (10)0.0137 (9)0.0211 (9)0.0054 (8)
N70.102 (3)0.089 (3)0.059 (2)0.016 (2)0.031 (2)0.004 (2)
C10.044 (1)0.055 (1)0.036 (1)0.021 (1)0.0156 (10)0.007 (1)
C20.038 (1)0.049 (1)0.036 (1)0.010 (1)0.0153 (10)0.0005 (10)
C30.070 (2)0.048 (1)0.051 (2)0.027 (1)0.030 (1)0.018 (1)
C40.104 (3)0.069 (2)0.062 (2)0.055 (2)0.042 (2)0.033 (2)
C50.088 (3)0.105 (3)0.057 (2)0.067 (3)0.028 (2)0.031 (2)
C60.058 (2)0.082 (2)0.048 (2)0.040 (2)0.016 (1)0.014 (2)
C70.047 (2)0.124 (4)0.072 (2)0.041 (2)0.013 (2)0.016 (2)
C80.038 (2)0.108 (3)0.075 (3)0.017 (2)0.016 (2)0.008 (2)
C90.040 (1)0.070 (2)0.050 (2)0.006 (1)0.019 (1)0.001 (1)
C100.052 (2)0.062 (2)0.059 (2)0.008 (1)0.031 (1)0.004 (1)
C110.069 (2)0.043 (1)0.056 (2)0.002 (1)0.036 (2)0.005 (1)
C120.056 (2)0.037 (1)0.045 (1)0.011 (1)0.027 (1)0.008 (1)
C130.037 (1)0.039 (1)0.037 (1)0.0084 (9)0.0196 (9)0.0044 (9)
C140.037 (1)0.041 (1)0.041 (1)0.0121 (9)0.0192 (9)0.0089 (9)
C150.052 (1)0.047 (1)0.033 (1)0.015 (1)0.017 (1)0.0081 (10)
C160.066 (2)0.057 (2)0.031 (1)0.016 (1)0.021 (1)0.006 (1)
C170.063 (2)0.056 (2)0.041 (1)0.015 (1)0.030 (1)0.002 (1)
C180.045 (1)0.045 (1)0.047 (1)0.009 (1)0.027 (1)0.002 (1)
C190.060 (2)0.060 (2)0.068 (2)0.026 (1)0.038 (2)0.005 (1)
C200.056 (2)0.064 (2)0.074 (2)0.033 (2)0.035 (2)0.012 (2)
C210.043 (1)0.052 (1)0.057 (2)0.021 (1)0.026 (1)0.016 (1)
C220.055 (2)0.070 (2)0.068 (2)0.037 (2)0.027 (2)0.032 (2)
C230.051 (2)0.065 (2)0.049 (2)0.024 (1)0.018 (1)0.026 (1)
C240.044 (1)0.053 (1)0.036 (1)0.017 (1)0.016 (1)0.013 (1)
C250.045 (1)0.043 (1)0.039 (1)0.006 (1)0.015 (1)0.005 (1)
C260.052 (1)0.042 (1)0.037 (1)0.010 (1)0.019 (1)0.0021 (10)
C270.047 (1)0.056 (2)0.042 (1)0.011 (1)0.023 (1)0.013 (1)
C280.048 (2)0.071 (2)0.058 (2)0.005 (1)0.028 (1)0.016 (2)
C290.049 (2)0.070 (2)0.065 (2)0.011 (2)0.024 (2)0.007 (2)
C300.056 (2)0.057 (2)0.053 (2)0.005 (1)0.019 (1)0.001 (1)
C310.085 (3)0.075 (3)0.071 (3)0.027 (2)0.027 (2)0.023 (2)
C320.102 (3)0.079 (3)0.066 (2)0.019 (2)0.036 (2)0.033 (2)
C330.078 (2)0.058 (2)0.047 (2)0.004 (2)0.026 (2)0.010 (1)
C340.103 (3)0.070 (2)0.055 (2)0.011 (2)0.043 (2)0.012 (2)
C350.089 (3)0.069 (2)0.058 (2)0.018 (2)0.050 (2)0.001 (2)
C360.062 (2)0.049 (1)0.047 (1)0.016 (1)0.033 (1)0.007 (1)
C370.055 (2)0.054 (2)0.054 (2)0.016 (1)0.026 (1)0.012 (1)
Geometric parameters (Å, º) top
Fe1—N11.974 (3)C11—H110.956
Fe1—N21.976 (2)C12—H120.957
Fe1—N31.978 (2)C13—C141.425 (4)
Fe1—N41.969 (3)C13—C181.403 (5)
Fe1—N51.982 (2)C14—C211.393 (5)
Fe1—N61.973 (2)C15—C161.400 (5)
S1—C371.624 (3)C15—H150.959
S2—C381.63 (2)C16—C171.364 (6)
S2—C38*1.60 (1)C16—H160.955
N1—C11.365 (4)C17—C181.401 (4)
N1—C31.334 (4)C17—H170.949
N2—C21.360 (4)C18—C191.436 (6)
N2—C121.331 (4)C19—C201.355 (5)
N3—C131.362 (4)C19—H190.955
N3—C151.331 (3)C20—C211.431 (6)
N4—C141.363 (4)C20—H200.955
N4—C241.337 (4)C21—C221.411 (5)
N5—C251.364 (3)C22—C231.369 (6)
N5—C271.334 (5)C22—H220.951
N6—C261.360 (3)C23—C241.387 (6)
N6—C361.331 (5)C23—H230.956
N7—C371.142 (5)C24—H240.960
N8—C381.35 (2)C25—C261.422 (5)
N8*—C38*1.07 (1)C25—C301.405 (4)
C1—C21.420 (4)C26—C331.399 (5)
C1—C61.406 (6)C27—C281.396 (4)
C2—C91.407 (4)C27—H270.945
C3—C41.397 (7)C28—C291.364 (5)
C3—H30.954C28—H280.946
C4—C51.364 (7)C29—C301.417 (7)
C4—H40.952C29—H290.955
C5—C61.397 (7)C30—C311.428 (6)
C5—H50.951C31—C321.336 (9)
C6—C71.426 (5)C31—H310.958
C7—C81.362 (9)C32—C331.432 (6)
C7—H70.957C32—H320.956
C8—C91.429 (7)C33—C341.410 (8)
C8—H80.957C34—C351.354 (5)
C9—C101.407 (6)C34—H340.963
C10—C111.358 (6)C35—C361.400 (5)
C10—H100.961C35—H350.971
C11—C121.395 (4)C36—H360.946
N1—Fe1—N282.8 (1)N4—C14—C13115.6 (3)
N1—Fe1—N393.6 (1)N4—C14—C21123.9 (3)
N1—Fe1—N4174.05 (7)C13—C14—C21120.5 (3)
N1—Fe1—N595.9 (1)N3—C15—C16122.7 (3)
N1—Fe1—N689.7 (1)N3—C15—H15118.2
N2—Fe1—N390.74 (9)C16—C15—H15119.1
N2—Fe1—N492.46 (10)C15—C16—C17120.1 (3)
N2—Fe1—N5176.8 (1)C15—C16—H16119.6
N2—Fe1—N694.35 (10)C17—C16—H16120.3
N3—Fe1—N482.8 (1)C16—C17—C18119.1 (3)
N3—Fe1—N592.27 (10)C16—C17—H17121.3
N3—Fe1—N6174.25 (10)C18—C17—H17119.7
N4—Fe1—N589.03 (10)C13—C18—C17117.3 (3)
N4—Fe1—N694.3 (1)C13—C18—C19117.9 (3)
N5—Fe1—N682.69 (10)C17—C18—C19124.7 (4)
Fe1—N1—C1112.7 (2)C18—C19—C20121.6 (4)
Fe1—N1—C3130.3 (2)C18—C19—H19119.1
C1—N1—C3117.0 (3)C20—C19—H19119.3
Fe1—N2—C2112.5 (2)C19—C20—C21120.9 (4)
Fe1—N2—C12130.2 (2)C19—C20—H20119.3
C2—N2—C12117.3 (2)C21—C20—H20119.8
Fe1—N3—C13112.5 (2)C14—C21—C20118.7 (3)
Fe1—N3—C15130.3 (2)C14—C21—C22116.9 (4)
C13—N3—C15117.2 (3)C20—C21—C22124.4 (4)
Fe1—N4—C14113.0 (2)C21—C22—C23119.2 (4)
Fe1—N4—C24129.7 (2)C21—C22—H22121.3
C14—N4—C24117.3 (3)C23—C22—H22119.5
Fe1—N5—C25112.6 (2)C22—C23—C24120.1 (3)
Fe1—N5—C27130.2 (2)C22—C23—H23119.9
C25—N5—C27117.0 (2)C24—C23—H23120.0
Fe1—N6—C26112.9 (2)N4—C24—C23122.6 (3)
Fe1—N6—C36129.6 (2)N4—C24—H24118.4
C26—N6—C36117.6 (2)C23—C24—H24119.0
N1—C1—C2115.7 (3)N5—C25—C26115.7 (2)
N1—C1—C6123.8 (3)N5—C25—C30123.8 (3)
C2—C1—C6120.4 (3)C26—C25—C30120.5 (3)
N2—C2—C1116.2 (2)N6—C26—C25116.1 (2)
N2—C2—C9123.1 (3)N6—C26—C33123.8 (3)
C1—C2—C9120.7 (3)C25—C26—C33120.0 (3)
N1—C3—C4122.4 (3)N5—C27—C28123.0 (3)
N1—C3—H3118.4N5—C27—H27118.3
C4—C3—H3119.2C28—C27—H27118.7
C3—C4—C5120.4 (4)C27—C28—C29120.2 (4)
C3—C4—H4119.5C27—C28—H28119.5
C5—C4—H4120.1C29—C28—H28120.4
C4—C5—C6119.3 (5)C28—C29—C30119.0 (3)
C4—C5—H5119.4C28—C29—H29120.7
C6—C5—H5121.3C30—C29—H29120.4
C1—C6—C5117.0 (3)C25—C30—C29117.0 (3)
C1—C6—C7118.3 (4)C25—C30—C31118.1 (4)
C5—C6—C7124.6 (5)C29—C30—C31124.9 (3)
C6—C7—C8121.1 (5)C30—C31—C32121.3 (4)
C6—C7—H7121.3C30—C31—H31118.6
C8—C7—H7117.6C32—C31—H31119.9
C7—C8—C9121.8 (4)C31—C32—C33121.9 (4)
C7—C8—H8119.6C31—C32—H32120.2
C9—C8—H8118.6C33—C32—H32117.8
C2—C9—C8117.6 (4)C26—C33—C32118.1 (4)
C2—C9—C10117.6 (3)C26—C33—C34116.7 (3)
C8—C9—C10124.8 (3)C32—C33—C34125.1 (4)
C9—C10—C11118.9 (3)C33—C34—C35119.4 (4)
C9—C10—H10121.2C33—C34—H34120.1
C11—C10—H10120.0C35—C34—H34120.5
C10—C11—C12120.2 (3)C34—C35—C36120.4 (5)
C10—C11—H11119.6C34—C35—H35120.7
C12—C11—H11120.2C36—C35—H35118.9
N2—C12—C11123.0 (3)N6—C36—C35122.1 (3)
N2—C12—H12117.8N6—C36—H36118.6
C11—C12—H12119.2C35—C36—H36119.3
N3—C13—C14116.0 (3)S1—C37—N7178.6 (5)
N3—C13—C18123.6 (2)S2—C38—N8172 (2)
C14—C13—C18120.4 (3)S2—C38*—N8*173 (1)

Experimental details

Crystal data
Chemical formula[Fe(C12H8N2)3](NCS)2·3H2O
Mr766.67
Crystal system, space groupTriclinic, P1
Temperature (K)295
a, b, c (Å)12.083 (3), 14.234 (4), 12.050 (2)
α, β, γ (°)93.19 (2), 109.53 (1), 111.55 (2)
V3)1778.7 (8)
Z2
Radiation typeMo Kα
µ (mm1)0.59
Crystal size (mm)0.6 × 0.5 × 0.5
Data collection
DiffractometerRigaku AFC-7R
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.658, 0.744
No. of measured, independent and
observed [I > 2σ(I)] reflections
10804, 10354, 8387
Rint0.007
(sin θ/λ)max1)0.703
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.062, 0.201, 1.03
No. of reflections8387
No. of parameters461
No. of restraints?
H-atom treatmentH-atom parameters not refined
Δρmax, Δρmin (e Å3)1.27, 1.55

Computer programs: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993), MSC/AFC Diffractometer Control Software, TEXSAN (Molecular Structure Corporation, 1999), SIR92 (Altomare et al., 1994), SHELXL97 (Sheldrick, 1997), TEXSAN.

Selected geometric parameters (Å, º) top
Fe1—N11.974 (3)Fe1—N41.969 (3)
Fe1—N21.976 (2)Fe1—N51.982 (2)
Fe1—N31.978 (2)Fe1—N61.973 (2)
N1—Fe1—N282.8 (1)N2—Fe1—N694.35 (10)
N1—Fe1—N393.6 (1)N3—Fe1—N482.8 (1)
N1—Fe1—N4174.05 (7)N3—Fe1—N592.27 (10)
N1—Fe1—N595.9 (1)N3—Fe1—N6174.25 (10)
N1—Fe1—N689.7 (1)N4—Fe1—N589.03 (10)
N2—Fe1—N390.74 (9)N4—Fe1—N694.3 (1)
N2—Fe1—N492.46 (10)N5—Fe1—N682.69 (10)
N2—Fe1—N5176.8 (1)
 

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