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In the title compound, poly­[cadmium(II)-μ4-m-phenyl­enebis­(oxy­acetato)], [Cd(C10H8O6)]n, the CdII atom exists in a distorted monocapped octahedral coordination environment with seven O atoms from four carboxyl­ate groups. The Cd atoms are bridged by benzene-1,3-dioxy­acetate dianions with tridentate and tetradentate modes of the oxy­acetate groups, leading to a two-dimensional layer structure parallel to (001).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804029265/ob6434sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804029265/ob6434Isup2.hkl
Contains datablock I

CCDC reference: 254350

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.023
  • wR factor = 0.064
  • Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.17 Ratio PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ ! PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ ! PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ ! PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............ !
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 0 ALERT type 3 Indicator that the structure quality may be low 5 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 & Rigaku, 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[cadmium(II)-µ4-m-phenylenebis(oxyacetato)] top
Crystal data top
[Cd(C10H8O6)]F(000) = 656
Mr = 336.57Dx = 2.335 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 6536 reflections
a = 8.2104 (16) Åθ = 3.6–27.5°
b = 5.9881 (12) ŵ = 2.30 mm1
c = 19.473 (4) ÅT = 293 K
β = 90.21 (3)°Prism, colorless
V = 957.4 (3) Å30.37 × 0.26 × 0.18 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
2188 independent reflections
Radiation source: fine-focus sealed tube2135 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.2°
ω scanh = 1010
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 77
Tmin = 0.469, Tmax = 0.663l = 2520
8736 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)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.064H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0438P)2 + 0.9652P]
where P = (Fo2 + 2Fc2)/3
2188 reflections(Δ/σ)max = 0.002
154 parametersΔρmax = 0.70 e Å3
0 restraintsΔρmin = 0.60 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.71239 (2)0.56322 (3)0.257972 (8)0.02359 (8)
O10.9369 (2)0.7507 (3)0.23412 (9)0.0291 (4)
O21.1777 (2)0.7835 (3)0.1819 (1)0.0335 (4)
O30.8525 (2)0.4114 (3)0.15084 (9)0.0285 (4)
O40.5792 (2)0.2671 (3)0.14166 (9)0.0331 (4)
O50.4864 (2)0.6035 (3)0.22022 (9)0.0261 (3)
O60.3285 (2)0.7450 (3)0.13993 (9)0.0298 (4)
C11.0367 (3)0.7020 (4)0.1883 (1)0.0252 (4)
C20.9909 (3)0.5397 (4)0.1314 (1)0.0258 (5)
C30.8096 (3)0.2332 (4)0.1097 (1)0.0233 (4)
C40.8390 (3)0.2249 (4)0.0394 (1)0.0297 (5)
C50.7763 (4)0.0474 (4)0.0018 (1)0.0308 (5)
C60.6856 (3)0.1207 (4)0.0328 (1)0.0285 (5)
C70.6607 (3)0.1097 (4)0.1033 (1)0.0240 (4)
C80.7237 (3)0.0652 (3)0.1421 (1)0.0228 (4)
C90.4877 (3)0.4347 (4)0.1071 (1)0.0250 (5)
C100.4306 (3)0.6042 (4)0.1596 (1)0.0233 (4)
H2A0.96670.62200.08970.031*
H2B1.08190.44090.12220.031*
H40.89950.33610.01810.036*
H50.79540.04080.04520.037*
H60.64270.23760.00700.034*
H80.70800.06920.18930.027*
H9A0.55480.50720.07280.030*
H9B0.39460.36800.08410.030*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0242 (1)0.0214 (1)0.0252 (1)0.00048 (5)0.00007 (7)0.00061 (5)
O10.0284 (8)0.0262 (8)0.0326 (9)0.0045 (7)0.0031 (7)0.0037 (7)
O20.0271 (9)0.0325 (9)0.041 (1)0.0116 (7)0.0041 (7)0.0085 (8)
O30.0312 (9)0.0273 (8)0.0271 (9)0.0124 (7)0.0057 (7)0.0067 (6)
O40.050 (1)0.0262 (8)0.0238 (8)0.0179 (8)0.0012 (7)0.0002 (6)
O50.0288 (8)0.0242 (7)0.0255 (8)0.0035 (7)0.0017 (7)0.0023 (6)
O60.0301 (9)0.0244 (8)0.0348 (9)0.0085 (7)0.0015 (7)0.0002 (7)
C10.028 (1)0.021 (1)0.027 (1)0.0023 (9)0.0014 (8)0.0030 (8)
C20.024 (1)0.026 (1)0.027 (1)0.0062 (9)0.0016 (9)0.0010 (8)
C30.023 (1)0.021 (1)0.025 (1)0.0018 (8)0.0001 (8)0.0019 (8)
C40.034 (1)0.029 (1)0.026 (1)0.009 (1)0.0049 (9)0.0010 (9)
C50.038 (1)0.032 (1)0.022 (1)0.007 (1)0.002 (1)0.0003 (9)
C60.035 (1)0.026 (1)0.025 (1)0.006 (1)0.0022 (9)0.0023 (9)
C70.028 (1)0.029 (9)0.025 (1)0.0021 (9)0.0012 (9)0.0028 (8)
C80.026 (1)0.020 (1)0.023 (1)0.0013 (8)0.0012 (9)0.0001 (7)
C90.028 (1)0.023 (1)0.024 (1)0.0051 (8)0.0000 (9)0.0008 (8)
C100.022 (1)0.0193 (9)0.028 (1)0.0002 (8)0.0043 (8)0.0002 (8)
Geometric parameters (Å, º) top
Cd1—O12.209 (2)O6—Cd1vi2.322 (2)
Cd1—O2i2.232 (2)C1—C21.520 (3)
Cd1—O32.554 (2)C2—H2A0.9700
Cd1—O4ii2.709 (2)C2—H2B0.9700
Cd1—O5ii2.230 (2)C3—C41.392 (3)
Cd1—O5iii2.614 (2)C3—C81.382 (3)
Cd1—O6iii2.322 (2)C4—C51.389 (3)
O1—C11.247 (3)C4—H40.9300
O2—C11.263 (3)C5—C61.392 (4)
O5—C101.264 (3)C5—H50.9300
O6—C101.248 (3)C6—C71.390 (3)
O2—Cd1iv2.232 (2)C6—H60.9300
O3—C21.424 (3)C7—C81.390 (3)
O3—C31.379 (3)C8—H80.9300
O4—C71.378 (3)C9—C101.517 (3)
O4—C91.422 (3)C9—H9A0.9700
O5—Cd1v2.230 (2)C9—H9B0.9700
O5—Cd1vi2.614 (2)
O1—Cd1—O2i98.95 (7)O4—C9—H9B110.0
O1—Cd1—O368.31 (6)O5—C10—C9121.1 (2)
O1—Cd1—O4ii88.19 (6)O6—C10—O5122.0 (2)
O1—Cd1—O5ii148.48 (7)O6—C10—C9117.0 (2)
O1—Cd1—O5iii99.68 (6)C1—O1—Cd1125.6 (2)
O1—Cd1—O6iii92.99 (7)C1—C2—H2A109.6
O2i—Cd1—O388.78 (7)C1—C2—H2B109.6
O2i—Cd1—O4ii151.76 (6)C1—O2—Cd1iv127.4 (2)
O2i—Cd1—O5iii137.66 (6)C2—O3—Cd1112.8 (1)
O2i—Cd1—O6iii88.95 (7)C3—O3—Cd1129.4 (1)
O3—Cd1—O4ii68.42 (6)C3—O3—C2117.8 (2)
O3—Cd1—O5iii133.48 (6)C3—C4—H4120.6
O5ii—Cd1—O2i99.85 (7)C3—C8—C7119.4 (2)
O5ii—Cd1—O387.03 (6)C3—C8—H8120.3
O5ii—Cd1—O4ii63.85 (6)C4—C5—C6121.5 (2)
O5iii—Cd1—O4ii66.37 (6)C4—C5—H5119.3
O5ii—Cd1—O5iii82.88 (3)C5—C4—C3118.8 (2)
O5ii—Cd1—O6iii112.40 (7)C5—C4—H4120.6
O6iii—Cd1—O3160.54 (6)C5—C6—H6120.8
O6iii—Cd1—O4ii118.11 (6)C6—C5—H5119.3
O6iii—Cd1—O5iii52.46 (6)C6—C7—C8121.1 (2)
Cd1v—O5—Cd1vi143.9 (8)C7—O4—C9118.8 (2)
O1—C1—O2125.8 (2)C7—C6—C5118.4 (2)
O1—C1—C2120.6 (2)C7—C6—H6120.8
O2—C1—C2113.5 (2)C7—C8—H8120.3
O3—C2—C1110.3 (2)C8—C3—C4120.9 (2)
O3—C2—H2A109.6C10—O5—Cd1v127.4 (2)
O3—C2—H2B109.6C10—O5—Cd1vi85.7 (1)
O3—C3—C4123.6 (2)C10—O6—Cd1vi99.8 (2)
O3—C3—C8115.4 (2)C10—C9—H9A110.0
O4—C7—C6125.2 (2)C10—C9—H9B110.0
O4—C7—C8113.6 (2)H2A—C2—H2B108.1
O4—C9—C10108.5 (2)H9A—C9—H9B108.4
O4—C9—H9A110.0
Cd1—O1—C1—O2167.0 (2)O4—C9—C10—O6169.7 (2)
Cd1—O1—C1—C216.1 (3)O4—C9—C10—O511.3 (3)
Cd1iv—O2—C1—O16.8 (4)O5ii—Cd1—O1—C147.2 (2)
Cd1iv—O2—C1—C2170.3 (2)O5iii—Cd1—O1—C1139.4 (2)
Cd1—O3—C2—C111.8 (2)O5ii—Cd1—O3—C2155.5 (2)
Cd1—O3—C3—C4147.9 (2)O5iii—Cd1—O3—C278.3 (2)
Cd1—O3—C3—C827.8 (3)O5ii—Cd1—O3—C322.0 (2)
Cd1v—O5—C10—O6161.6 (2)O5iii—Cd1—O3—C399.2 (2)
Cd1vi—O5—C10—O62.6 (2)O6iii—Cd1—O1—C1168.2 (2)
Cd1v—O5—C10—C917.5 (3)O6iii—Cd1—O3—C221.2 (3)
Cd1vi—O5—C10—C9178.4 (2)O6iii—Cd1—O3—C3161.4 (2)
Cd1vi—O6—C10—O53.0 (2)C2—O3—C3—C429.5 (3)
Cd1vi—O6—C10—C9178.0 (2)C2—O3—C3—C8154.9 (2)
O1—Cd1—O3—C24.4 (2)C3—O3—C2—C1170.4 (2)
O1—Cd1—O3—C3178.1 (2)C3—C4—C5—C60.0 (4)
O1—C1—C2—O318.2 (3)C4—C3—C8—C72.4 (4)
O2i—Cd1—O1—C178.8 (2)C4—C5—C6—C71.0 (4)
O2i—Cd1—O3—C2104.5 (2)C5—C6—C7—O4177.4 (2)
O2i—Cd1—O3—C378.0 (2)C5—C6—C7—C80.4 (4)
O2—C1—C2—O3164.6 (2)C6—C7—C8—C31.3 (4)
O3—Cd1—O1—C16.3 (2)C7—O4—C9—C10172.0 (2)
O3—C3—C4—C5173.6 (2)C8—C3—C4—C51.8 (4)
O3—C3—C8—C7173.4 (2)C9—O4—C7—C611.9 (4)
O4—C7—C8—C3179.4 (2)C9—O4—C7—C8170.2 (2)
Symmetry codes: (i) x+2, y1/2, z+1/2; (ii) x, y+1, z; (iii) x+1, y+3/2, z+1/2; (iv) x+2, y+1/2, z+1/2; (v) x, y1, z; (vi) x+1, y3/2, z+1/2.
 

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