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The title compound, [Zn2(C9H6O5)2(C5H5N)2], contains pairs of pyridine-coordinated Zn2+ ions [Zn...Zn = 2.987 (1) Å] which are bridged by two carboxyl­ate fragments and two –O–CH2–CO2 fragments of four 4-carboxyl­atophenoxy­acetate dianions to give rise to ZnO4N square-based pyramids. The extended connectivity results in a layered structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805031788/hb6279sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805031788/hb6279Isup2.hkl
Contains datablock I

CCDC reference: 289753

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.032
  • wR factor = 0.080
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C2
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.459 0.756 Tmin(prime) and Tmax expected: 0.525 0.744 RR(prime) = 0.859 Please check that your absorption correction is appropriate. 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 PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.84 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.46 PLAT213_ALERT_2_C Atom C2 has ADP max/min Ratio ............. 3.20 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.34 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.05 Ratio
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Poly[bis[(pyridine-κN)zinc(II)](Zn—Zn)-µ4-carboxylatophenoxyacetato] top
Crystal data top
[Zn2(C9H6O5)2(C5H5N)2]F(000) = 688
Mr = 677.22Dx = 1.677 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 12595 reflections
a = 9.354 (2) Åθ = 3.5–27.5°
b = 14.876 (3) ŵ = 1.85 mm1
c = 10.231 (2) ÅT = 295 K
β = 109.58 (3)°Block, colorless
V = 1341.3 (5) Å30.34 × 0.25 × 0.16 mm
Z = 2
Data collection top
Rigaku RAXIS-RAPID
diffractometer
3069 independent reflections
Radiation source: fine-focus sealed tube2553 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.5°
ω scanh = 1212
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1919
Tmin = 0.459, Tmax = 0.756l = 1213
12817 measured reflections
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)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.080H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0461P)2 + 0.5185P]
where P = (Fo2 + 2Fc2)/3
3069 reflections(Δ/σ)max = 0.001
190 parametersΔρmax = 0.64 e Å3
0 restraintsΔρmin = 0.26 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.38247 (3)0.47092 (2)0.36770 (2)0.0300 (1)
O10.5176 (2)0.3637 (1)0.4570 (2)0.0425 (4)
O20.6949 (2)0.4019 (1)0.6569 (2)0.0441 (4)
O30.7574 (2)0.0237 (1)0.6673 (2)0.0402 (4)
O40.7504 (2)0.0545 (1)1.0117 (2)0.0440 (4)
O50.5660 (2)0.0175 (1)0.8144 (2)0.0411 (4)
N10.2647 (2)0.4023 (1)0.1931 (2)0.0312 (4)
C10.1163 (3)0.4094 (2)0.1328 (3)0.064 (1)
C20.0357 (3)0.3568 (3)0.0228 (4)0.099 (2)
C30.1128 (3)0.2933 (2)0.0271 (3)0.067 (1)
C40.2647 (3)0.2868 (2)0.0319 (3)0.044 (1)
C50.3372 (3)0.3426 (2)0.1411 (2)0.039 (1)
C60.6247 (3)0.3454 (1)0.5662 (2)0.034 (1)
C70.6682 (2)0.2484 (1)0.5919 (2)0.029 (1)
C80.6153 (3)0.1841 (1)0.4878 (2)0.033 (1)
C90.6477 (3)0.0939 (2)0.5160 (2)0.034 (1)
C100.7326 (2)0.0670 (1)0.6493 (2)0.031 (1)
C110.7869 (3)0.1301 (2)0.7542 (2)0.036 (1)
C120.7544 (2)0.2205 (1)0.7240 (2)0.034 (1)
C130.8096 (3)0.0568 (2)0.8055 (3)0.042 (1)
C140.6975 (3)0.0409 (1)0.8832 (2)0.034 (1)
H10.06430.45180.16640.077*
H20.06880.36360.01750.119*
H30.06050.25580.10020.080*
H40.31930.24540.00070.053*
H50.44210.33840.18060.047*
H80.55770.20190.39860.039*
H90.61260.05140.44580.040*
H110.84420.11220.84350.043*
H120.79130.26300.79380.041*
H13a0.90510.02780.85600.050*
H13b0.82850.12080.80360.050*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0351 (2)0.0248 (1)0.0267 (1)0.0011 (1)0.0059 (1)0.0024 (1)
O10.050 (1)0.034 (1)0.040 (1)0.010 (1)0.010 (1)0.008 (1)
O20.044 (1)0.026 (1)0.057 (1)0.002 (1)0.009 (1)0.003 (1)
O30.062 (1)0.027 (1)0.038 (1)0.011 (1)0.026 (1)0.005 (1)
O40.053 (1)0.047 (1)0.036 (1)0.005 (1)0.019 (1)0.005 (1)
O50.044 (1)0.041 (1)0.042 (1)0.006 (1)0.019 (1)0.001 (1)
N10.031 (1)0.030 (1)0.032 (1)0.002 (1)0.011 (1)0.005 (1)
C10.032 (1)0.085 (2)0.073 (2)0.002 (1)0.014 (1)0.043 (2)
C20.025 (1)0.151 (4)0.109 (3)0.010 (2)0.007 (2)0.085 (3)
C30.044 (2)0.084 (2)0.072 (2)0.022 (2)0.020 (2)0.0505 (18)
C40.045 (1)0.039 (1)0.049 (1)0.002 (1)0.018 (1)0.014 (1)
C50.032 (1)0.042 (1)0.039 (1)0.002 (1)0.007 (1)0.009 (1)
C60.035 (1)0.028 (1)0.042 (1)0.002 (1)0.018 (1)0.005 (1)
C70.029 (1)0.026 (1)0.034 (1)0.000 (1)0.011 (1)0.002 (1)
C80.036 (1)0.035 (1)0.026 (1)0.001 (1)0.010 (1)0.003 (1)
C90.043 (1)0.031 (1)0.030 (1)0.001 (1)0.016 (1)0.004 (1)
C100.036 (1)0.027 (1)0.035 (1)0.004 (1)0.018 (1)0.003 (1)
C110.039 (1)0.036 (1)0.029 (1)0.004 (1)0.006 (1)0.003 (1)
C120.034 (1)0.031 (1)0.034 (1)0.002 (1)0.006 (1)0.006 (1)
C130.056 (2)0.032 (1)0.043 (1)0.016 (1)0.025 (1)0.011 (1)
C140.046 (1)0.023 (1)0.036 (1)0.002 (1)0.019 (1)0.002 (1)
Geometric parameters (Å, º) top
Zn1—O12.051 (2)C7—C121.385 (3)
Zn1—O2i2.011 (2)C7—C81.394 (3)
Zn1—O4ii2.059 (2)C8—C91.385 (3)
Zn1—O5iii2.087 (2)C9—C101.387 (3)
Zn1—N12.032 (2)C10—C111.388 (3)
Zn1—Zn1i2.987 (1)C11—C121.390 (3)
O1—C61.255 (3)C13—C141.532 (3)
O2—C61.261 (3)C1—H10.93
O3—C101.371 (2)C2—H20.93
O3—C131.421 (3)C3—H30.93
O4—C141.256 (3)C4—H40.93
O5—C141.244 (3)C5—H50.93
N1—C11.321 (3)C8—H80.93
N1—C51.332 (3)C9—H90.93
C1—C21.370 (4)C11—H110.93
C2—C31.386 (4)C12—H120.93
C3—C41.348 (4)C13—H13a0.97
C4—C51.374 (3)C13—H13b0.97
C6—C71.498 (3)
O1—Zn1—O2i158.45 (7)C9—C8—C7120.6 (2)
O1—Zn1—O4ii89.76 (7)C10—C9—C8119.8 (2)
O1—Zn1—O5iii86.35 (7)O3—C10—C9115.5 (2)
O1—Zn1—N194.17 (7)O3—C10—C11124.1 (2)
O2i—Zn1—O4ii89.07 (7)C9—C10—C11120.4 (2)
O2i—Zn1—O5iii87.03 (7)C10—C11—C12119.1 (2)
O2i—Zn1—N1107.22 (8)C7—C12—C11121.3 (2)
O4ii—Zn1—O5iii158.88 (7)O3—C13—C14113.4 (2)
O4ii—Zn1—N1100.16 (7)O5—C14—O4127.3 (2)
O5iii—Zn1—N1100.82 (7)O5—C14—C13117.9 (2)
O2i—Zn1—Zn1i88.03 (5)O4—C14—C13114.8 (2)
N1—Zn1—Zn1i163.74 (5)N1—C1—H1118.6
O1—Zn1—Zn1i70.42 (5)C2—C1—H1118.6
O4ii—Zn1—Zn1i85.36 (5)C1—C2—H2120.6
O5iii—Zn1—Zn1i73.77 (5)C3—C2—H2120.6
C6—O1—Zn1138.9 (2)C4—C3—H3120.5
C6—O2—Zn1i117.3 (2)C2—C3—H3120.5
C10—O3—C13117.4 (2)C3—C4—H4120.7
C14—O4—Zn1iv119.4 (2)C5—C4—H4120.7
C14—O5—Zn1v133.5 (2)N1—C5—H5118.3
C1—N1—C5117.5 (2)C4—C5—H5118.3
C1—N1—Zn1123.1 (2)C9—C8—H8119.7
C5—N1—Zn1119.2 (2)C7—C8—H8119.7
N1—C1—C2122.8 (3)C10—C9—H9120.1
C1—C2—C3118.7 (3)C8—C9—H9120.1
C4—C3—C2119.0 (2)C10—C11—H11120.5
C3—C4—C5118.6 (2)C12—C11—H11120.5
N1—C5—C4123.3 (2)C7—C12—H12119.3
O1—C6—O2125.0 (2)C11—C12—H12119.3
O1—C6—C7117.0 (2)O3—C13—H13a108.9
O2—C6—C7117.9 (2)C14—C13—H13a108.9
C12—C7—C8118.7 (2)O3—C13—H13b108.9
C12—C7—C6119.7 (2)C14—C13—H13b108.9
C8—C7—C6121.4 (2)H13a—C13—H13b107.7
O2i—Zn1—O1—C66.3 (4)Zn1i—O2—C6—O15.5 (3)
N1—Zn1—O1—C6179.3 (2)Zn1i—O2—C6—C7172.5 (1)
O4ii—Zn1—O1—C680.5 (2)O1—C6—C7—C12162.6 (2)
O5iii—Zn1—O1—C678.7 (2)O2—C6—C7—C1215.5 (3)
Zn1i—Zn1—O1—C64.6 (2)O1—C6—C7—C813.0 (3)
O2i—Zn1—N1—C144.3 (3)O2—C6—C7—C8168.9 (2)
O1—Zn1—N1—C1138.3 (2)C12—C7—C8—C90.3 (3)
O4ii—Zn1—N1—C147.8 (2)C6—C7—C8—C9175.3 (2)
O5iii—Zn1—N1—C1134.6 (2)C7—C8—C9—C100.5 (3)
Zn1i—Zn1—N1—C1156.6 (2)C13—O3—C10—C9164.7 (2)
O2i—Zn1—N1—C5140.5 (2)C13—O3—C10—C1115.5 (3)
O1—Zn1—N1—C536.8 (2)C8—C9—C10—O3179.4 (2)
O4ii—Zn1—N1—C5127.3 (2)C8—C9—C10—C110.8 (3)
O5iii—Zn1—N1—C550.3 (2)O3—C10—C11—C12179.9 (2)
Zn1i—Zn1—N1—C518.6 (3)C9—C10—C11—C120.3 (3)
C5—N1—C1—C21.5 (5)C8—C7—C12—C110.8 (3)
Zn1—N1—C1—C2173.7 (3)C6—C7—C12—C11174.9 (2)
N1—C1—C2—C30.3 (7)C10—C11—C12—C70.5 (3)
C1—C2—C3—C41.6 (6)C10—O3—C13—C1462.2 (3)
C2—C3—C4—C51.0 (5)Zn1v—O5—C14—O410.9 (4)
C1—N1—C5—C42.1 (4)Zn1v—O5—C14—C13170.1 (2)
Zn1—N1—C5—C4173.3 (2)Zn1iv—O4—C14—O54.5 (3)
C3—C4—C5—N10.8 (4)Zn1iv—O4—C14—C13176.5 (1)
Zn1—O1—C6—O28.1 (4)O3—C13—C14—O513.0 (3)
Zn1—O1—C6—C7169.9 (2)O3—C13—C14—O4167.9 (2)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y+1/2, z+3/2; (iii) x, y+1/2, z1/2; (iv) x+1, y1/2, z+3/2; (v) x, y+1/2, z+1/2.
 

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