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The title polymeric compound, {[Eu2Cu(C7H3O4)4(H2O)6]·2H2O}n, was prepared by a hydro­thermal reaction at 453 K. The EuIII ion has a double-capped trigonal prismatic coordination geometry with an NdNO7 core, while the CuII ion is located on an inversion center and assumes a square-planar coordination geometry. The pyridine-2,5-dicarboxyl­ate dianions bridge the EuIII and CuII ions, forming a three-dimensional polymeric structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806000948/xu6074sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806000948/xu6074Isup2.hkl
Contains datablock I

CCDC reference: 250197

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.027
  • wR factor = 0.061
  • Data-to-parameter ratio = 13.9

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Eu1 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 ............ ! 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 11 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 1 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 7 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[[hexaaquabis(µ3-pyridine-2,5-dicarboxylato-κ4O:O',N:O'')bis(µ2– pyridine-2,5-dicarboxylato-κ3O:O',N)dieuropium(III)copper(II)] dihydrate] top
Crystal data top
[Eu2Cu(C7H3O4)4(H2O)6]·2H2OF(000) = 1142
Mr = 1172.00Dx = 2.126 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 854 reflections
a = 9.271 (3) Åθ = 2.8–26.2°
b = 25.548 (8) ŵ = 4.06 mm1
c = 7.793 (2) ÅT = 293 K
β = 97.273 (5)°Prism, blue
V = 1831.0 (9) Å30.20 × 0.14 × 0.12 mm
Z = 2
Data collection top
Bruker SMART CCD area-detector
diffractometer
3723 independent reflections
Radiation source: fine-focus sealed tube3242 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
φ and ω scansθmax = 26.4°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 1111
Tmin = 0.468, Tmax = 0.610k = 3031
10493 measured reflectionsl = 49
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.061H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0272P)2 + 2.202P]
where P = (Fo2 + 2Fc2)/3
3723 reflections(Δ/σ)max = 0.002
268 parametersΔρmax = 0.47 e Å3
0 restraintsΔρmin = 1.19 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
Eu10.513019 (19)0.849510 (7)0.58684 (2)0.01109 (7)
Cu11.00001.00001.50000.02501 (18)
O10.2635 (3)0.84351 (12)0.4930 (4)0.0240 (7)
O20.1421 (3)0.91149 (11)0.5888 (4)0.0255 (7)
O30.5086 (3)0.79367 (11)0.3328 (3)0.0185 (6)
O40.4076 (3)0.73446 (11)0.1771 (4)0.0259 (7)
O50.4372 (3)0.93468 (11)0.6735 (4)0.0290 (7)
H5A0.34540.93840.65840.035*
H5B0.48770.96250.68670.035*
O60.5221 (3)0.90886 (11)0.3501 (4)0.0261 (7)
H6A0.46190.93380.32320.031*
H6B0.53930.89790.25280.031*
O70.3996 (3)0.83595 (13)0.8486 (4)0.0334 (8)
H7A0.46010.85150.92260.040*
H7B0.34180.81450.88780.040*
O80.7058 (3)0.87702 (12)0.8011 (3)0.0213 (6)
O90.6148 (3)0.88309 (15)1.0504 (4)0.0378 (9)
O101.3410 (3)0.99174 (11)1.2484 (4)0.0250 (7)
O111.1908 (3)1.01655 (12)1.4354 (4)0.0257 (7)
N10.2487 (3)0.83354 (12)0.4537 (4)0.0131 (7)
N20.9699 (4)0.96668 (13)1.2707 (4)0.0185 (7)
C10.1471 (4)0.86816 (17)0.5164 (5)0.0181 (8)
C20.0086 (4)0.84122 (15)0.4470 (5)0.0170 (8)
C30.0032 (4)0.80114 (18)0.3269 (6)0.0266 (10)
H30.08760.78980.28540.032*
C40.1291 (4)0.77804 (18)0.2692 (6)0.0263 (10)
H40.13500.75150.18700.032*
C50.2528 (4)0.79511 (15)0.3359 (5)0.0153 (8)
C60.1215 (4)0.85646 (15)0.5056 (5)0.0147 (8)
H60.11920.88390.58450.018*
C70.4007 (4)0.77225 (15)0.2787 (5)0.0159 (8)
C80.7124 (4)0.88962 (16)0.9573 (5)0.0199 (9)
C90.8516 (4)0.91537 (16)1.0398 (5)0.0186 (8)
C100.9817 (5)0.91160 (18)0.9701 (6)0.0258 (10)
H100.98580.89280.86870.031*
C111.1052 (5)0.93576 (17)1.0510 (5)0.0247 (10)
H111.19290.93331.00540.030*
C121.0959 (4)0.96352 (15)1.2001 (5)0.0174 (8)
C130.8513 (4)0.94331 (16)1.1920 (5)0.0185 (8)
H130.76520.94581.24100.022*
C141.2213 (4)0.99255 (15)1.3018 (5)0.0190 (9)
O120.2550 (3)0.77259 (14)0.0633 (4)0.0385 (8)
H12A0.25010.73990.04230.046*
H12B0.31190.78200.15250.046*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Eu10.00833 (10)0.01371 (10)0.01099 (10)0.00071 (8)0.00032 (6)0.00056 (8)
Cu10.0228 (4)0.0351 (4)0.0171 (4)0.0135 (3)0.0022 (3)0.0110 (3)
O10.0108 (14)0.0328 (17)0.0281 (16)0.0025 (12)0.0014 (12)0.0049 (14)
O20.0150 (15)0.0233 (16)0.0378 (17)0.0006 (12)0.0013 (13)0.0066 (14)
O30.0110 (13)0.0243 (15)0.0199 (14)0.0005 (11)0.0008 (11)0.0057 (12)
O40.0221 (15)0.0223 (16)0.0331 (17)0.0052 (12)0.0030 (13)0.0142 (14)
O50.0197 (15)0.0210 (16)0.0458 (19)0.0008 (12)0.0029 (14)0.0120 (14)
O60.0337 (17)0.0251 (16)0.0217 (15)0.0111 (13)0.0118 (13)0.0056 (13)
O70.0322 (18)0.049 (2)0.0200 (15)0.0180 (15)0.0061 (14)0.0038 (15)
O80.0156 (14)0.0348 (17)0.0131 (13)0.0039 (13)0.0007 (11)0.0061 (13)
O90.0309 (18)0.067 (3)0.0171 (15)0.0202 (17)0.0087 (14)0.0142 (16)
O100.0137 (15)0.0226 (16)0.0382 (18)0.0026 (12)0.0015 (13)0.0054 (14)
O110.0232 (16)0.0313 (18)0.0221 (15)0.0088 (13)0.0012 (13)0.0104 (13)
N10.0132 (16)0.0123 (16)0.0135 (15)0.0006 (12)0.0009 (13)0.0002 (13)
N20.0199 (18)0.0182 (17)0.0163 (17)0.0039 (14)0.0018 (14)0.0022 (14)
C10.0128 (19)0.026 (2)0.0164 (19)0.0015 (16)0.0041 (16)0.0018 (17)
C20.0124 (19)0.021 (2)0.0175 (19)0.0020 (15)0.0001 (15)0.0010 (16)
C30.014 (2)0.033 (2)0.033 (2)0.0035 (18)0.0050 (18)0.012 (2)
C40.019 (2)0.029 (2)0.031 (2)0.0014 (18)0.0029 (18)0.018 (2)
C50.0103 (18)0.0157 (19)0.0191 (19)0.0002 (15)0.0010 (15)0.0037 (16)
C60.0125 (19)0.017 (2)0.0143 (18)0.0022 (15)0.0019 (15)0.0008 (15)
C70.020 (2)0.0143 (19)0.0136 (18)0.0031 (16)0.0012 (16)0.0029 (16)
C80.021 (2)0.022 (2)0.0166 (19)0.0018 (17)0.0008 (17)0.0045 (17)
C90.017 (2)0.024 (2)0.0135 (18)0.0035 (17)0.0032 (16)0.0018 (17)
C100.023 (2)0.033 (3)0.020 (2)0.0035 (19)0.0003 (18)0.0087 (19)
C110.018 (2)0.031 (2)0.025 (2)0.0008 (18)0.0040 (18)0.0039 (19)
C120.017 (2)0.016 (2)0.0180 (19)0.0017 (16)0.0026 (16)0.0006 (16)
C130.018 (2)0.022 (2)0.0146 (18)0.0044 (17)0.0002 (16)0.0011 (17)
C140.018 (2)0.015 (2)0.021 (2)0.0016 (16)0.0048 (16)0.0034 (17)
O120.0320 (18)0.041 (2)0.041 (2)0.0065 (16)0.0004 (15)0.0016 (17)
Geometric parameters (Å, º) top
Eu1—O12.342 (3)O11—C141.270 (5)
Eu1—O3i2.428 (3)N1—C61.332 (5)
Eu1—O4ii2.347 (3)N1—C51.341 (5)
Eu1—O52.409 (3)N1—Eu1iv2.589 (3)
Eu1—O62.397 (3)N2—C131.331 (5)
Eu1—O72.435 (3)N2—C121.355 (5)
Eu1—O82.392 (3)C1—C21.496 (5)
Eu1—N1i2.589 (3)C2—C31.384 (6)
Cu1—O111.946 (3)C2—C61.398 (5)
Cu1—O11iii1.946 (3)C3—C41.383 (6)
Cu1—N21.967 (3)C3—H30.9300
Cu1—N2iii1.967 (3)C4—C51.388 (5)
O1—C11.282 (5)C4—H40.9300
O2—C11.246 (5)C5—C71.506 (5)
O3—C71.259 (5)C6—H60.9300
O3—Eu1iv2.428 (3)C8—C91.517 (5)
O4—C71.245 (5)C9—C131.385 (5)
O4—Eu1v2.347 (3)C9—C101.387 (6)
O5—H5A0.8497C10—C111.380 (6)
O5—H5B0.8503C10—H100.9300
O6—H6A0.8550C11—C121.373 (6)
O6—H6B0.8418C11—H110.9300
O7—H7A0.8509C12—C141.516 (5)
O7—H7B0.8498C13—H130.9300
O8—C81.252 (5)O12—H12A0.8511
O9—C81.241 (5)O12—H12B0.8519
O10—C141.234 (5)
O1—Eu1—O3i74.36 (9)H7A—O7—H7B116.7
O1—Eu1—O4ii107.08 (10)C8—O8—Eu1134.0 (3)
O1—Eu1—O580.50 (10)C14—O11—Cu1114.3 (3)
O1—Eu1—O686.03 (10)C6—N1—C5118.5 (3)
O1—Eu1—O774.81 (11)C6—N1—Eu1iv125.2 (2)
O1—Eu1—O8149.17 (10)C5—N1—Eu1iv116.0 (2)
O3i—Eu1—O4ii72.39 (10)C13—N2—C12119.3 (3)
O3i—Eu1—O5139.67 (10)C13—N2—Cu1128.8 (3)
O3i—Eu1—O675.62 (10)C12—N2—Cu1111.4 (3)
O3i—Eu1—O7126.83 (10)O2—C1—O1125.5 (4)
O3i—Eu1—O8136.01 (9)O2—C1—C2119.5 (4)
O4ii—Eu1—O5146.43 (11)O1—C1—C2114.9 (4)
O4ii—Eu1—O6140.21 (10)C3—C2—C6117.9 (4)
O4ii—Eu1—O776.78 (11)C3—C2—C1122.8 (4)
O4ii—Eu1—O883.18 (11)C6—C2—C1119.4 (3)
O5—Eu1—O671.60 (10)C4—C3—C2119.4 (4)
O5—Eu1—O773.83 (11)C4—C3—H3120.3
O5—Eu1—O875.97 (10)C2—C3—H3120.3
O6—Eu1—O7142.70 (11)C3—C4—C5119.0 (4)
O6—Eu1—O8104.80 (10)C3—C4—H4120.5
O7—Eu1—O879.66 (10)C5—C4—H4120.5
N1i—Eu1—O1136.39 (10)N1—C5—C4122.2 (3)
N1i—Eu1—O3i64.37 (9)N1—C5—C7115.6 (3)
N1i—Eu1—O4ii74.03 (10)C4—C5—C7122.2 (3)
N1i—Eu1—O5123.27 (10)N1—C6—C2123.0 (4)
N1i—Eu1—O671.12 (10)N1—C6—H6118.5
N1i—Eu1—O7142.56 (11)C2—C6—H6118.5
N1i—Eu1—O874.10 (10)O4—C7—O3124.8 (4)
O1—Eu1—H7A90.6O4—C7—C5117.4 (3)
O4ii—Eu1—H7A79.5O3—C7—C5117.7 (3)
O8—Eu1—H7A62.2O9—C8—O8125.7 (4)
O6—Eu1—H7A139.1O9—C8—C9117.1 (3)
O5—Eu1—H7A67.6O8—C8—C9117.2 (3)
O3i—Eu1—H7A142.0C13—C9—C10117.9 (4)
O7—Eu1—H7A17.9C13—C9—C8119.5 (4)
N1i—Eu1—H7A130.9C10—C9—C8122.6 (4)
O11—Cu1—O11iii179.999 (1)C11—C10—C9120.1 (4)
O11—Cu1—N2iii96.42 (13)C11—C10—H10119.9
O11iii—Cu1—N2iii83.58 (13)C9—C10—H10119.9
O11—Cu1—N283.58 (13)C12—C11—C10118.7 (4)
O11iii—Cu1—N296.42 (13)C12—C11—H11120.6
N2iii—Cu1—N2179.996 (1)C10—C11—H11120.6
C1—O1—Eu1137.7 (3)N2—C12—C11121.6 (4)
C7—O3—Eu1iv122.8 (2)N2—C12—C14113.7 (3)
C7—O4—Eu1v152.7 (3)C11—C12—C14124.7 (4)
Eu1—O5—H5A112.7N2—C13—C9122.4 (4)
Eu1—O5—H5B127.9N2—C13—H13118.8
H5A—O5—H5B116.6C9—C13—H13118.8
Eu1—O6—H6A125.0O10—C14—O11126.0 (4)
Eu1—O6—H6B120.8O10—C14—C12118.6 (4)
H6A—O6—H6B102.6O11—C14—C12115.4 (4)
Eu1—O7—H7A100.6H12A—O12—H12B116.5
Eu1—O7—H7B138.8
Symmetry codes: (i) x+1, y, z; (ii) x+1, y+3/2, z+1/2; (iii) x+2, y+2, z+3; (iv) x1, y, z; (v) x1, y+3/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O20.852.022.796 (4)152
O5—H5B···O10vi0.851.992.795 (4)159
O6—H6A···O10vii0.861.902.756 (4)174
O6—H6B···O9viii0.841.842.671 (4)167
O7—H7A···O90.851.832.666 (4)169
O7—H7B···O12ix0.851.992.791 (5)158
O12—H12A···O1x0.852.173.019 (5)174
O12—H12B···O3i0.852.062.888 (4)164
Symmetry codes: (i) x+1, y, z; (vi) x+2, y+2, z+2; (vii) x1, y, z1; (viii) x, y, z1; (ix) x, y, z+1; (x) x, y+3/2, z1/2.
 

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