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The structure of the title compound, Na2[Zn(C6H11O2)4], consists of two-dimensional polymeric sheets. The Zn2+ ions are approximately tetrahedrally coordinated by O atoms from different hexanoate anions. Both Na+ ions are six-coordinated by carboxyl­ate O atoms. One of the hexanoate O atoms is attached to one Zn2+ ion and one Na+ ion, and the remaining O atom is attached to two Na+ ions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100002924/sk1361sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100002924/sk1361Isup2.hkl
Contains datablock I

CCDC reference: 146033

Computing details top

Data collection: CAD-4 Software (Enraf-Nonius, 1994); cell refinement: PARAM (reference?); data reduction: NRCVAX (Gabe et al., 1989); program(s) used to solve structure: SHELXS86 (Sheldrick, 1985); program(s) used to refine structure: SHELXL97; molecular graphics: ORTEPIII (Burnett & Johnson, 1996).

Disodium tetrakis(hexanoato-O)zinc(II) top
Crystal data top
Na2[Zn(C6H11O2)4]F(000) = 1216
Mr = 571.96Dx = 1.255 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 37.605 (7) ÅCell parameters from 75 reflections
b = 7.7797 (6) Åθ = 8.1–14.7°
c = 10.347 (2) ŵ = 0.88 mm1
β = 90.82 (2)°T = 293 K
V = 3026.8 (8) Å3Plate, colourless
Z = 40.71 × 0.51 × 0.10 mm
Data collection top
Enraf-Nonius CAD-4
diffractometer
2108 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.124
Graphite monochromatorθmax = 28°, θmin = 1.1°
pure ω scanh = 4949
Absorption correction: integration
(NRCVAX; Gabe et al., 1989)
k = 100
Tmin = 0.55, Tmax = 0.92l = 1313
7288 measured reflections3 standard reflections every 600 reflections
3651 independent reflections intensity decay: 2.1%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.055H-atom parameters constrained
wR(F2) = 0.133Calculated w = 1/[σ2(Fo2) + (0.0547P)2 + 0.1048P]
where P = (Fo2 + 2Fc2)/3
S = 0.99(Δ/σ)max = 0.001
3651 reflectionsΔρmax = 0.68 e Å3
164 parametersΔρmin = 0.81 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00101 (19)
Special details top

Experimental. There were only a few crystals which were suitable for the structure analysis. They were sealed in glass capillaries and tested on the diffractometer. The crystal with the best scattering properties was used for the subsequent analysis. However, the crystal size was too large for the homogeneous part of the X-ray beam, hence the rather large value of Rint = 0.12.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn1/20.25161 (6)3/40.04063 (17)
O120.53875 (6)0.0710 (3)0.8296 (2)0.0556 (6)
O110.53850 (5)0.1215 (2)0.6711 (2)0.0469 (5)
O210.47426 (6)0.4262 (3)0.6484 (2)0.0502 (5)
C210.46385 (7)0.3958 (4)0.5310 (3)0.0408 (6)
O220.47551 (5)0.2755 (2)0.4663 (2)0.0502 (5)
C110.55251 (7)0.0017 (4)0.7358 (3)0.0457 (7)
C220.43519 (7)0.5132 (4)0.4801 (3)0.0513 (7)
H22A0.43310.50140.38700.062*
H22B0.44130.63160.49970.062*
C120.58816 (9)0.0638 (6)0.6889 (4)0.0706 (10)
H12A0.58920.18790.69720.085*
H12B0.59030.03590.59800.085*
C230.39983 (9)0.4678 (6)0.5420 (4)0.0737 (11)
H23A0.39640.34450.53620.088*
H23B0.40110.49780.63290.088*
C240.36822 (10)0.5555 (8)0.4819 (6)0.1016 (17)
H24A0.36770.53200.38990.122*
H24B0.37070.67870.49330.122*
C130.61794 (10)0.0110 (8)0.7595 (6)0.1042 (17)
H13A0.61610.01920.85010.125*
H13B0.61660.13520.75290.125*
C140.65414 (11)0.0485 (9)0.7103 (8)0.130 (2)
H14A0.65510.17290.71550.156*
H14B0.65570.01760.61970.156*
C250.33336 (12)0.4985 (11)0.5393 (9)0.142 (3)
H25A0.33190.37410.53590.170*
H25B0.33280.53260.62950.170*
C150.68435 (17)0.0188 (15)0.7763 (12)0.194 (5)
H15A0.68300.01160.86700.232*
H15B0.68390.14320.77030.232*
C260.30205 (17)0.5726 (17)0.4708 (12)0.237 (6)
H26A0.30190.69500.48220.355*
H26B0.28070.52460.50530.355*
H26C0.30330.54620.38030.355*
C160.71977 (14)0.0467 (15)0.7232 (14)0.240 (6)
H16A0.71830.16850.70920.360*
H16B0.73860.02240.78420.360*
H16C0.72460.00990.64290.360*
Na11/2010.0441 (4)
Na21/20.6857 (2)3/40.0480 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn0.0575 (3)0.0346 (2)0.0298 (2)00.00081 (17)0
O120.0665 (12)0.0593 (13)0.0413 (13)0.0089 (10)0.0091 (11)0.0055 (12)
O110.0564 (10)0.0450 (11)0.0394 (12)0.0026 (9)0.0057 (9)0.0020 (10)
O210.0715 (12)0.0418 (10)0.0373 (12)0.0046 (10)0.0063 (10)0.0007 (10)
C210.0540 (15)0.0382 (14)0.0302 (14)0.0036 (13)0.0027 (12)0.0030 (13)
O220.0697 (11)0.0444 (12)0.0364 (11)0.0072 (10)0.0002 (9)0.0039 (10)
C110.0499 (14)0.0514 (16)0.0358 (16)0.0000 (13)0.0017 (12)0.0077 (15)
C220.0601 (17)0.0505 (16)0.0433 (19)0.0042 (14)0.0026 (14)0.0070 (16)
C120.0590 (18)0.088 (3)0.065 (3)0.0120 (18)0.0096 (17)0.009 (2)
C230.073 (2)0.091 (3)0.058 (2)0.016 (2)0.0069 (18)0.009 (2)
C240.068 (2)0.139 (4)0.097 (4)0.021 (3)0.003 (2)0.018 (4)
C130.070 (2)0.143 (4)0.100 (4)0.002 (3)0.004 (2)0.036 (4)
C140.060 (3)0.173 (6)0.158 (7)0.011 (3)0.007 (3)0.030 (5)
C250.079 (3)0.206 (7)0.142 (6)0.024 (4)0.020 (3)0.013 (6)
C150.104 (4)0.271 (11)0.206 (11)0.003 (6)0.019 (5)0.047 (9)
C260.085 (4)0.431 (18)0.194 (10)0.024 (7)0.013 (5)0.040 (14)
C160.065 (3)0.353 (14)0.303 (16)0.020 (6)0.014 (5)0.006 (14)
Na10.0634 (8)0.0383 (8)0.0306 (8)0.0018 (7)0.0022 (7)0.0018 (7)
Na20.0711 (9)0.0395 (7)0.0336 (8)00.0047 (7)0
Geometric parameters (Å, º) top
Zn—O11i1.955 (2)C23—C241.498 (5)
Zn—O111.955 (2)C24—C251.514 (7)
Zn—O211.964 (2)C25—C261.483 (10)
Zn—O21i1.964 (2)O12—Na12.368 (2)
Zn—Na1i3.2439 (5)Na1—O22iv2.3567 (19)
Zn—Na13.2439 (5)Na1—O22i2.3567 (19)
O12—C111.231 (4)Na1—O12v2.368 (2)
O12—Na2ii2.520 (3)Na1—O11iv2.460 (2)
O11—C111.279 (4)Na1—O11i2.460 (2)
C11—C121.511 (4)Na1—C11i3.116 (3)
C12—C131.450 (6)Na1—C11iv3.116 (3)
C13—C141.532 (7)Na1—Znv3.2439 (5)
C14—C151.418 (9)Na1—Na2ii3.5594 (13)
C15—C161.535 (11)Na1—Na2vi3.5594 (13)
O11—Na1i2.460 (2)O21—Na22.468 (3)
O21—C211.293 (4)Na2—O22vii2.451 (2)
C21—O221.235 (4)Na2—O22iii2.451 (2)
C21—C221.502 (4)Na2—O21i2.468 (3)
O22—Na1i2.3567 (19)Na2—O12viii2.520 (3)
O22—Na2iii2.451 (2)Na2—O12ix2.520 (3)
C11—Na1i3.116 (3)Na2—Na1viii3.5594 (12)
C22—C231.525 (5)Na2—Na1ix3.5594 (12)
O11i—Zn—O11117.64 (12)O11iv—Na1—C11iv22.85 (7)
O11i—Zn—O21102.67 (9)O11i—Na1—C11iv157.15 (7)
O11—Zn—O21119.79 (10)C11i—Na1—C11iv180.000 (1)
O11i—Zn—O21i119.79 (10)O22iv—Na1—Znv64.21 (6)
O11—Zn—O21i102.67 (9)O22i—Na1—Znv115.79 (6)
O21—Zn—O21i92.50 (12)O12v—Na1—Znv62.63 (6)
O11i—Zn—Na1i91.67 (7)O12—Na1—Znv117.37 (6)
O11—Zn—Na1i49.16 (6)O11iv—Na1—Znv36.96 (5)
O21—Zn—Na1i89.78 (7)O11i—Na1—Znv143.04 (5)
O21i—Zn—Na1i146.97 (7)C11i—Na1—Znv127.90 (6)
O11i—Zn—Na149.16 (6)C11iv—Na1—Znv52.10 (6)
O11—Zn—Na191.67 (7)O22iv—Na1—Zn115.79 (6)
O21—Zn—Na1146.97 (7)O22i—Na1—Zn64.21 (6)
O21i—Zn—Na189.78 (7)O12v—Na1—Zn117.37 (6)
Na1i—Zn—Na1105.769 (17)O12—Na1—Zn62.63 (6)
C11—O12—Na1139.0 (2)O11iv—Na1—Zn143.04 (5)
C11—O12—Na2ii108.6 (2)O11i—Na1—Zn36.96 (5)
Na1—O12—Na2ii93.42 (8)C11i—Na1—Zn52.10 (6)
C11—O11—Zn118.15 (19)C11iv—Na1—Zn127.90 (6)
C11—O11—Na1i108.80 (17)Znv—Na1—Zn180.000 (1)
Zn—O11—Na1i93.88 (8)O22iv—Na1—Na2ii43.26 (6)
C21—O21—Zn121.13 (19)O22i—Na1—Na2ii136.74 (6)
C21—O21—Na2131.40 (18)O12v—Na1—Na2ii135.04 (6)
Zn—O21—Na298.66 (9)O12—Na1—Na2ii44.96 (6)
O22—C21—O21122.9 (3)O11iv—Na1—Na2ii104.65 (5)
O22—C21—C22122.0 (3)O11i—Na1—Na2ii75.35 (5)
O21—C21—C22115.1 (3)C11i—Na1—Na2ii55.58 (6)
C21—O22—Na1i138.6 (2)C11iv—Na1—Na2ii124.42 (6)
C21—O22—Na2iii122.86 (18)Znv—Na1—Na2ii99.50 (2)
Na1i—O22—Na2iii95.52 (8)Zn—Na1—Na2ii80.50 (2)
O12—C11—O11124.5 (3)O22iv—Na1—Na2vi136.74 (6)
O12—C11—C12119.9 (3)O22i—Na1—Na2vi43.26 (6)
O11—C11—C12115.6 (3)O12v—Na1—Na2vi44.96 (6)
O12—C11—Na1i110.52 (19)O12—Na1—Na2vi135.04 (6)
O11—C11—Na1i48.34 (14)O11iv—Na1—Na2vi75.35 (5)
C12—C11—Na1i107.8 (2)O11i—Na1—Na2vi104.65 (5)
C21—C22—C23109.8 (3)C11i—Na1—Na2vi124.42 (6)
C13—C12—C11113.1 (3)C11iv—Na1—Na2vi55.58 (6)
C24—C23—C22114.3 (4)Znv—Na1—Na2vi80.50 (2)
C23—C24—C25113.0 (5)Zn—Na1—Na2vi99.50 (2)
C12—C13—C14113.2 (5)Na2ii—Na1—Na2vi180.0
C15—C14—C13115.9 (6)O22vii—Na2—O22iii165.85 (12)
C26—C25—C24112.6 (6)O22vii—Na2—O21109.85 (8)
C14—C15—C16113.4 (9)O22iii—Na2—O2182.08 (8)
O22iv—Na1—O22i180.0O22vii—Na2—O21i82.08 (8)
O22iv—Na1—O12v94.54 (8)O22iii—Na2—O21i109.85 (8)
O22i—Na1—O12v85.46 (8)O21—Na2—O21i70.18 (10)
O22iv—Na1—O1285.46 (8)O22vii—Na2—O12viii80.33 (8)
O22i—Na1—O1294.54 (8)O22iii—Na2—O12viii89.02 (8)
O12v—Na1—O12180.0O21—Na2—O12viii167.24 (8)
O22iv—Na1—O11iv88.96 (7)O21i—Na2—O12viii104.71 (7)
O22i—Na1—O11iv91.04 (7)O22vii—Na2—O12ix89.02 (8)
O12v—Na1—O11iv85.19 (7)O22iii—Na2—O12ix80.33 (8)
O12—Na1—O11iv94.81 (7)O21—Na2—O12ix104.71 (7)
O22iv—Na1—O11i91.04 (7)O21i—Na2—O12ix167.24 (8)
O22i—Na1—O11i88.96 (7)O12viii—Na2—O12ix82.63 (11)
O12v—Na1—O11i94.81 (7)O22vii—Na2—Na1viii41.23 (5)
O12—Na1—O11i85.19 (7)O22iii—Na2—Na1viii125.65 (7)
O11iv—Na1—O11i180.0O21—Na2—Na1viii150.17 (6)
O22iv—Na1—C11i68.79 (8)O21i—Na2—Na1viii104.87 (5)
O22i—Na1—C11i111.21 (8)O12viii—Na2—Na1viii41.62 (6)
O12v—Na1—C11i101.18 (8)O12ix—Na2—Na1viii73.48 (7)
O12—Na1—C11i78.82 (8)O22vii—Na2—Na1ix125.65 (7)
O11iv—Na1—C11i157.15 (7)O22iii—Na2—Na1ix41.23 (5)
O11i—Na1—C11i22.85 (7)O21—Na2—Na1ix104.87 (5)
O22iv—Na1—C11iv111.21 (8)O21i—Na2—Na1ix150.17 (6)
O22i—Na1—C11iv68.79 (8)O12viii—Na2—Na1ix73.48 (7)
O12v—Na1—C11iv78.82 (8)O12ix—Na2—Na1ix41.62 (6)
O12—Na1—C11iv101.18 (8)Na1viii—Na2—Na1ix93.23 (4)
Symmetry codes: (i) x+1, y, z+3/2; (ii) x, y1, z; (iii) x+1, y+1, z+1; (iv) x, y, z+1/2; (v) x+1, y, z+2; (vi) x+1, y+1, z+2; (vii) x, y+1, z+1/2; (viii) x, y+1, z; (ix) x+1, y+1, z+3/2.
 

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