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The title complex, [Cu2(C8H5Cl2O3)4(C4H4N2)]n, crystallizes as a chain of alternating tetra­kis(2,4-dichloro­phenoxy­acetato)dicopper(II) and pyrazine units in which square-pyramidal copper(II) centers are alternately linked by four bridging 2,4-dichloro­phenoxy­acetate anions and a single bridging pyrazine mol­ecule. Both the dinuclear copper unit and the pyrazine ligand have a center of symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807003832/ww2070sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807003832/ww2070Isup2.hkl
Contains datablock I

CCDC reference: 636832

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.030
  • wR factor = 0.085
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39 CU1 -CU1 -N1 -C18 21.10 0.60 2.666 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 CU1 -CU1 -N1 -C17 -156.30 0.40 2.666 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

catena-Poly[[tetrakis(µ-2,4-dichlorophenoxyacetato-κ2O:O')dicopper(II)]- µ-pyrazine-κ2N:N'] top
Crystal data top
[Cu2(C8H5Cl2O3)4(C4H4N2)]Z = 1
Mr = 1087.26F(000) = 544
Triclinic, P1Dx = 1.776 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.8662 (3) ÅCell parameters from 137 reflections
b = 10.9610 (4) Åθ = 7.5–22°
c = 11.0262 (3) ŵ = 1.64 mm1
α = 63.467 (2)°T = 296 K
β = 78.764 (2)°Block, green
γ = 72.876 (2)°0.24 × 0.14 × 0.10 mm
V = 1016.73 (6) Å3
Data collection top
Bruker SMART APEX-II CCD
diffractometer
3444 independent reflections
Radiation source: fine-focus sealed tube2807 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
φ and ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 811
Tmin = 0.699, Tmax = 0.859k = 1113
8012 measured reflectionsl = 1113
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0528P)2]
where P = (Fo2 + 2Fc2)/3
3444 reflections(Δ/σ)max = 0.001
271 parametersΔρmax = 0.31 e Å3
0 restraintsΔρmin = 0.34 e Å3
Special details top

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
Cu10.36344 (3)0.51063 (3)0.48791 (3)0.03176 (12)
Cl10.92897 (11)0.84357 (10)0.51340 (9)0.0744 (3)
Cl20.99040 (9)0.66284 (10)0.01824 (9)0.0652 (3)
Cl30.31712 (9)0.19543 (9)0.73350 (9)0.0631 (2)
Cl40.12879 (11)0.07736 (11)1.16778 (9)0.0791 (3)
C10.7600 (3)0.6599 (3)0.0754 (3)0.0391 (6)
C20.8913 (3)0.6939 (3)0.1113 (3)0.0430 (7)
C30.9448 (3)0.7493 (3)0.2443 (3)0.0486 (8)
H31.03280.77180.26630.058*
C40.8647 (3)0.7704 (3)0.3441 (3)0.0461 (7)
C50.7355 (3)0.7365 (3)0.3129 (3)0.0460 (7)
H50.68310.75080.38170.055*
C60.6834 (3)0.6810 (3)0.1786 (3)0.0416 (7)
H60.59580.65750.15730.050*
C70.5775 (3)0.5918 (3)0.0999 (3)0.0424 (7)
H7A0.56430.51910.07910.051*
H7B0.51150.67890.05030.051*
C80.5480 (3)0.5529 (3)0.2502 (3)0.0351 (6)
C90.3947 (3)0.0035 (3)0.7690 (3)0.0427 (7)
C100.3151 (3)0.0967 (3)0.8211 (3)0.0452 (7)
C110.2337 (3)0.1210 (3)0.9422 (3)0.0534 (8)
H110.17980.18770.97480.064*
C120.2322 (3)0.0461 (3)1.0152 (3)0.0525 (8)
C130.3106 (4)0.0514 (3)0.9670 (3)0.0562 (8)
H130.30960.10171.01650.067*
C140.3917 (4)0.0765 (3)0.8450 (3)0.0539 (8)
H140.44510.14340.81330.065*
C150.5899 (3)0.0820 (3)0.6187 (3)0.0467 (7)
H15A0.65470.05630.55100.056*
H15B0.63990.04180.70040.056*
C160.5519 (3)0.2409 (3)0.5669 (3)0.0381 (6)
C170.0724 (3)0.5534 (3)0.3817 (3)0.0402 (7)
H170.11980.59130.29680.048*
C180.0666 (3)0.4541 (3)0.6106 (3)0.0428 (7)
H180.11030.42030.69070.051*
N10.1400 (2)0.5080 (2)0.4925 (2)0.0326 (5)
O10.4280 (2)0.30715 (18)0.53787 (19)0.0422 (5)
O20.6547 (2)0.29115 (18)0.5582 (2)0.0493 (5)
O30.4219 (2)0.5472 (2)0.29548 (19)0.0455 (5)
O40.6484 (2)0.5315 (2)0.31716 (19)0.0443 (5)
O50.4709 (2)0.02131 (19)0.6484 (2)0.0498 (5)
O60.7185 (2)0.6079 (2)0.05949 (19)0.0484 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.02166 (19)0.03661 (19)0.0365 (2)0.01239 (13)0.00296 (13)0.01107 (14)
Cl10.0875 (7)0.0766 (6)0.0469 (5)0.0253 (5)0.0195 (5)0.0213 (4)
Cl20.0514 (5)0.0926 (6)0.0587 (5)0.0384 (5)0.0082 (4)0.0229 (4)
Cl30.0643 (6)0.0639 (5)0.0780 (6)0.0306 (4)0.0037 (4)0.0352 (4)
Cl40.0773 (7)0.0933 (7)0.0586 (6)0.0361 (5)0.0146 (5)0.0226 (5)
C10.0347 (17)0.0439 (15)0.0423 (17)0.0160 (12)0.0004 (13)0.0183 (13)
C20.0372 (17)0.0487 (16)0.0463 (17)0.0154 (13)0.0024 (13)0.0194 (13)
C30.0389 (18)0.0511 (17)0.055 (2)0.0188 (14)0.0064 (15)0.0200 (15)
C40.054 (2)0.0412 (15)0.0406 (17)0.0117 (14)0.0068 (14)0.0188 (13)
C50.053 (2)0.0473 (16)0.0432 (17)0.0101 (14)0.0054 (14)0.0242 (14)
C60.0391 (17)0.0491 (16)0.0446 (17)0.0187 (13)0.0007 (13)0.0222 (14)
C70.0359 (17)0.0538 (17)0.0426 (17)0.0226 (13)0.0021 (13)0.0174 (13)
C80.0354 (17)0.0347 (13)0.0373 (15)0.0150 (11)0.0044 (12)0.0120 (11)
C90.0422 (18)0.0348 (14)0.0480 (18)0.0104 (12)0.0055 (14)0.0128 (13)
C100.0371 (17)0.0421 (15)0.0569 (19)0.0115 (13)0.0102 (14)0.0170 (14)
C110.042 (2)0.0518 (18)0.063 (2)0.0232 (15)0.0045 (15)0.0132 (16)
C120.0438 (19)0.0540 (18)0.0478 (18)0.0115 (15)0.0042 (14)0.0106 (15)
C130.069 (2)0.0516 (18)0.053 (2)0.0230 (17)0.0046 (17)0.0240 (15)
C140.062 (2)0.0426 (16)0.059 (2)0.0240 (15)0.0047 (16)0.0194 (15)
C150.0457 (19)0.0343 (14)0.0535 (19)0.0110 (13)0.0025 (14)0.0140 (13)
C160.0371 (18)0.0377 (14)0.0354 (15)0.0126 (13)0.0020 (12)0.0111 (12)
C170.0285 (16)0.0543 (17)0.0346 (15)0.0190 (13)0.0012 (12)0.0104 (13)
C180.0315 (16)0.0599 (18)0.0359 (16)0.0185 (13)0.0075 (12)0.0120 (13)
N10.0222 (12)0.0377 (12)0.0394 (13)0.0111 (9)0.0017 (10)0.0151 (10)
O10.0347 (12)0.0361 (10)0.0545 (12)0.0105 (8)0.0067 (9)0.0150 (9)
O20.0329 (12)0.0370 (10)0.0705 (14)0.0088 (9)0.0077 (10)0.0140 (10)
O30.0324 (12)0.0649 (13)0.0392 (11)0.0235 (9)0.0012 (9)0.0148 (9)
O40.0333 (12)0.0652 (12)0.0403 (11)0.0222 (9)0.0014 (9)0.0211 (9)
O50.0556 (14)0.0412 (11)0.0564 (13)0.0218 (10)0.0067 (10)0.0214 (10)
O60.0375 (12)0.0759 (14)0.0362 (11)0.0297 (10)0.0021 (9)0.0190 (10)
Geometric parameters (Å, º) top
Cu1—O2i1.9573 (18)C9—O51.355 (3)
Cu1—O11.9713 (17)C9—C141.385 (4)
Cu1—O4i1.9734 (19)C9—C101.386 (4)
Cu1—O31.9734 (19)C10—C111.375 (4)
Cu1—N12.204 (2)C11—C121.379 (4)
Cl1—C41.741 (3)C11—H110.9300
Cl2—C21.739 (3)C12—C131.357 (4)
Cl3—C101.737 (3)C13—C141.381 (4)
Cl4—C121.736 (3)C13—H130.9300
C1—O61.359 (3)C14—H140.9300
C1—C61.385 (4)C15—O51.430 (3)
C1—C21.388 (4)C15—C161.520 (4)
C2—C31.375 (4)C15—H15A0.9700
C3—C41.375 (4)C15—H15B0.9700
C3—H30.9300C16—O11.243 (3)
C4—C51.370 (4)C16—O21.259 (3)
C5—C61.382 (4)C17—N11.328 (3)
C5—H50.9300C17—C18ii1.382 (4)
C6—H60.9300C17—H170.9300
C7—O61.413 (3)C18—N11.328 (3)
C7—C81.506 (4)C18—C17ii1.382 (4)
C7—H7A0.9700C18—H180.9300
C7—H7B0.9700O2—Cu1i1.9573 (18)
C8—O41.254 (3)O4—Cu1i1.9734 (19)
C8—O31.256 (3)
O2i—Cu1—O1166.77 (8)O5—C9—C14125.0 (2)
O2i—Cu1—O4i89.96 (8)O5—C9—C10117.5 (2)
O1—Cu1—O4i88.11 (8)C14—C9—C10117.5 (3)
O2i—Cu1—O389.09 (8)C11—C10—C9121.5 (3)
O1—Cu1—O389.83 (8)C11—C10—Cl3118.4 (2)
O4i—Cu1—O3166.87 (8)C9—C10—Cl3120.1 (2)
O2i—Cu1—N1101.10 (8)C10—C11—C12119.7 (3)
O1—Cu1—N192.09 (7)C10—C11—H11120.2
O4i—Cu1—N193.73 (8)C12—C11—H11120.2
O3—Cu1—N199.30 (7)C13—C12—C11119.9 (3)
O2i—Cu1—Cu1i82.94 (6)C13—C12—Cl4120.8 (3)
O1—Cu1—Cu1i83.83 (6)C11—C12—Cl4119.3 (2)
O4i—Cu1—Cu1i80.76 (5)C12—C13—C14120.4 (3)
O3—Cu1—Cu1i86.13 (6)C12—C13—H13119.8
N1—Cu1—Cu1i173.22 (6)C14—C13—H13119.8
O6—C1—C6125.8 (2)C13—C14—C9121.0 (3)
O6—C1—C2116.4 (2)C13—C14—H14119.5
C6—C1—C2117.8 (3)C9—C14—H14119.5
C3—C2—C1122.2 (3)O5—C15—C16114.5 (2)
C3—C2—Cl2119.7 (2)O5—C15—H15A108.6
C1—C2—Cl2118.1 (2)C16—C15—H15A108.6
C2—C3—C4118.2 (3)O5—C15—H15B108.6
C2—C3—H3120.9C16—C15—H15B108.6
C4—C3—H3120.9H15A—C15—H15B107.6
C5—C4—C3121.4 (3)O1—C16—O2126.9 (2)
C5—C4—Cl1119.6 (2)O1—C16—C15119.3 (2)
C3—C4—Cl1119.0 (2)O2—C16—C15113.8 (2)
C4—C5—C6119.5 (3)N1—C17—C18ii121.7 (2)
C4—C5—H5120.2N1—C17—H17119.2
C6—C5—H5120.2C18ii—C17—H17119.2
C5—C6—C1120.7 (3)N1—C18—C17ii122.2 (2)
C5—C6—H6119.6N1—C18—H18118.9
C1—C6—H6119.6C17ii—C18—H18118.9
O6—C7—C8109.7 (2)C18—N1—C17116.1 (2)
O6—C7—H7A109.7C18—N1—Cu1120.18 (17)
C8—C7—H7A109.7C17—N1—Cu1123.64 (18)
O6—C7—H7B109.7C16—O1—Cu1122.29 (16)
C8—C7—H7B109.7C16—O2—Cu1i123.74 (17)
H7A—C7—H7B108.2C8—O3—Cu1120.05 (17)
O4—C8—O3126.5 (3)C8—O4—Cu1i126.54 (18)
O4—C8—C7118.3 (2)C9—O5—C15117.2 (2)
O3—C8—C7115.3 (2)C1—O6—C7118.6 (2)
O6—C1—C2—C3179.1 (3)O2i—Cu1—N1—C18105.0 (2)
C6—C1—C2—C31.2 (4)O1—Cu1—N1—C1873.9 (2)
O6—C1—C2—Cl21.6 (3)O4i—Cu1—N1—C1814.3 (2)
C6—C1—C2—Cl2178.2 (2)O3—Cu1—N1—C18164.1 (2)
C1—C2—C3—C40.4 (4)Cu1i—Cu1—N1—C1821.1 (6)
Cl2—C2—C3—C4179.0 (2)O2i—Cu1—N1—C1777.6 (2)
C2—C3—C4—C50.5 (4)O1—Cu1—N1—C17103.5 (2)
C2—C3—C4—Cl1178.8 (2)O4i—Cu1—N1—C17168.3 (2)
C3—C4—C5—C60.5 (4)O3—Cu1—N1—C1713.3 (2)
Cl1—C4—C5—C6178.7 (2)Cu1i—Cu1—N1—C17156.3 (4)
C4—C5—C6—C10.3 (4)O2—C16—O1—Cu16.5 (4)
O6—C1—C6—C5179.1 (3)C15—C16—O1—Cu1173.65 (19)
C2—C1—C6—C51.2 (4)O2i—Cu1—O1—C163.9 (5)
O6—C7—C8—O44.7 (3)O4i—Cu1—O1—C1677.8 (2)
O6—C7—C8—O3174.4 (2)O3—Cu1—O1—C1689.2 (2)
O5—C9—C10—C11179.4 (3)N1—Cu1—O1—C16171.5 (2)
C14—C9—C10—C111.3 (4)Cu1i—Cu1—O1—C163.1 (2)
O5—C9—C10—Cl30.8 (4)O1—C16—O2—Cu1i6.3 (4)
C14—C9—C10—Cl3178.4 (2)C15—C16—O2—Cu1i173.84 (18)
C9—C10—C11—C121.0 (5)O4—C8—O3—Cu13.2 (4)
Cl3—C10—C11—C12178.7 (2)C7—C8—O3—Cu1175.72 (16)
C10—C11—C12—C130.2 (5)O2i—Cu1—O3—C881.0 (2)
C10—C11—C12—Cl4179.9 (2)O1—Cu1—O3—C885.9 (2)
C11—C12—C13—C140.1 (5)O4i—Cu1—O3—C85.0 (5)
Cl4—C12—C13—C14179.5 (3)N1—Cu1—O3—C8177.94 (19)
C12—C13—C14—C90.2 (5)Cu1i—Cu1—O3—C82.03 (19)
O5—C9—C14—C13179.9 (3)O3—C8—O4—Cu1i2.4 (4)
C10—C9—C14—C130.9 (5)C7—C8—O4—Cu1i176.48 (17)
O5—C15—C16—O19.0 (4)C14—C9—O5—C1521.8 (4)
O5—C15—C16—O2171.2 (2)C10—C9—O5—C15157.4 (2)
C17ii—C18—N1—C170.5 (4)C16—C15—O5—C980.3 (3)
C17ii—C18—N1—Cu1178.1 (2)C6—C1—O6—C79.8 (4)
C18ii—C17—N1—C180.5 (4)C2—C1—O6—C7170.4 (2)
C18ii—C17—N1—Cu1178.0 (2)C8—C7—O6—C1172.0 (2)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y+1, z+1.
 

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