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Each Cd atom in the title centrosymmetric dinuclear complex, [Cd2(Hsal)4(Him)4] (where Hsal is the salicyl­ate monoanion, C7H5O3, and Him is imidazole, C3H4N2), shows a pentagonal–bipyramidal geometry. Five carboxyl­ate O atoms of different salicyl­ates and two imidazole N atoms are coordinated to each Cd atom. The two Cd atoms are bridged by two tridentate chelating salicyl­ate ligands, and the Cd...Cd distance is 3.86 (3) Å. A two-dimensional layer structure is formed via intermolecular hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804008700/ww6193sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804008700/ww6193Isup2.hkl
Contains datablock I

CCDC reference: 223553

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.026
  • wR factor = 0.062
  • Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd1 - O1 .. 10.51 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd1 - O5 .. 14.46 su
Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 - O2 .. 7.96 su
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 1 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 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku Corporation, 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.

Bis(µ-salicylato-κ3O,O':O')bis[(imidazole-κN3)(salicylato- κ2O,O')cadmium(II)] top
Crystal data top
[Cd2(C7H5O3)4(C3H4N2)4]Z = 1
Mr = 1045.57F(000) = 524
Triclinic, P1Dx = 1.681 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.339 (2) ÅCell parameters from 9315 reflections
b = 9.793 (2) Åθ = 3.0–27.5°
c = 12.251 (3) ŵ = 1.10 mm1
α = 79.21 (3)°T = 293 K
β = 86.28 (3)°Prism, colourless
γ = 69.76 (3)°0.35 × 0.24 × 0.18 mm
V = 1032.7 (5) Å3
Data collection top
Rigaku RAXIS-RAPID
diffractometer
4661 independent reflections
Radiation source: fine-focus sealed tube4211 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.016
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.1°
ω scansh = 1212
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1112
Tmin = 0.699, Tmax = 0.826l = 1515
9420 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)] = 0.026Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.062H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0349P)2 + 0.2931P]
where P = (Fo2 + 2Fc2)/3
4661 reflections(Δ/σ)max = 0.001
280 parametersΔρmax = 0.80 e Å3
0 restraintsΔρmin = 0.50 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.05069 (2)0.81226 (2)0.09957 (1)0.03202 (6)
O10.1281 (2)0.5530 (2)0.2132 (1)0.0453 (4)
O20.0677 (2)0.7304 (2)0.2656 (1)0.0407 (4)
O30.2717 (2)0.6765 (2)0.3878 (2)0.0501 (4)
O40.2380 (2)0.7028 (2)0.0317 (1)0.0441 (4)
O50.1055 (2)0.9356 (2)0.0912 (1)0.0413 (4)
O60.4705 (2)0.5660 (2)0.1383 (2)0.0555 (5)
N10.1341 (2)0.7688 (2)0.0175 (1)0.0421 (4)
N20.2461 (3)0.6616 (3)0.0726 (2)0.0607 (6)
N30.2250 (2)0.8565 (2)0.1905 (1)0.0374 (4)
N40.4354 (2)0.8122 (3)0.2790 (1)0.0530 (5)
C10.0410 (2)0.4850 (2)0.3501 (2)0.0334 (4)
C20.1824 (2)0.5313 (3)0.4037 (2)0.0383 (5)
C30.2334 (3)0.4291 (3)0.4737 (2)0.0544 (6)
C40.1445 (4)0.2818 (3)0.4920 (2)0.0607 (7)
C50.0044 (4)0.2340 (3)0.4402 (3)0.0601 (7)
C60.0467 (3)0.3348 (3)0.3699 (2)0.0472 (6)
C70.0128 (2)0.5935 (2)0.2720 (2)0.0338 (4)
C80.3010 (2)0.8118 (2)0.2099 (2)0.0317 (4)
C90.4279 (2)0.6857 (2)0.2203 (2)0.0384 (5)
C100.5162 (3)0.6839 (3)0.3164 (2)0.0470 (6)
C110.4783 (3)0.8024 (3)0.4014 (2)0.0498 (6)
C120.3516 (3)0.9270 (3)0.3932 (2)0.0479 (6)
C130.2648 (3)0.9307 (2)0.2973 (2)0.0398 (5)
C140.2085 (2)0.8187 (2)0.1056 (2)0.0316 (4)
C150.1153 (3)0.6767 (3)0.0520 (2)0.0479 (6)
C160.3566 (4)0.7479 (4)0.0134 (3)0.0709 (9)
C170.2872 (3)0.8143 (4)0.0423 (3)0.0592 (7)
C180.3582 (3)0.7582 (3)0.2214 (2)0.0475 (6)
C190.3468 (3)0.9533 (3)0.2861 (2)0.0565 (7)
C200.2170 (3)0.9794 (3)0.2322 (2)0.0477 (6)
H30.32780.46000.50840.065*
H40.17880.21390.53970.073*
H50.05500.13430.45280.072*
H60.14080.30240.33510.057*
H100.60160.60140.32280.056*
H110.53790.79970.46530.060*
H120.32551.00700.45160.057*
H130.18061.01440.29130.048*
H150.02200.62820.08280.057*
H160.45970.75910.01140.085*
H170.33530.88030.08990.071*
H180.39410.66300.20520.057*
H190.37131.01860.32130.068*
H200.13441.06730.22430.057*
H210.22800.72540.34620.075*
H220.40970.57930.08660.083*
H230.25860.60690.11590.073*
H240.52520.76610.30670.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03330 (9)0.03102 (8)0.03074 (8)0.01015 (6)0.00409 (5)0.00590 (6)
O10.0422 (9)0.0386 (8)0.0507 (9)0.0114 (7)0.0173 (7)0.0076 (7)
O20.0451 (9)0.0295 (7)0.0407 (8)0.0070 (6)0.0076 (7)0.0036 (6)
O30.0339 (8)0.0490 (9)0.061 (1)0.0065 (7)0.0119 (8)0.0120 (8)
O40.0491 (9)0.0349 (8)0.0369 (8)0.0038 (7)0.0118 (7)0.0028 (7)
O50.0389 (8)0.0326 (7)0.0442 (9)0.0019 (6)0.0113 (7)0.0104 (7)
O60.055 (1)0.0363 (8)0.055 (1)0.0068 (7)0.0132 (8)0.0043 (8)
N10.045 (1)0.043 (1)0.040 (1)0.0163 (8)0.0001 (8)0.0102 (9)
N20.075 (2)0.050 (1)0.066 (2)0.026 (1)0.018 (1)0.016 (1)
N30.0384 (9)0.0331 (9)0.040 (1)0.0102 (7)0.0017 (8)0.007 (8)
N40.036 (1)0.063 (1)0.058 (1)0.013 (1)0.0064 (9)0.008 (1)
C10.033 (1)0.032 (1)0.033 (1)0.0107 (8)0.0003 (8)0.0033 (8)
C20.034 (1)0.045 (1)0.036 (1)0.0133 (9)0.0026 (9)0.010 (1)
C30.051 (6)0.068 (2)0.052 (2)0.032 (1)0.014 (1)0.011 (1)
C40.080 (2)0.060 (2)0.051 (2)0.044 (2)0.008 (1)0.003 (1)
C50.068 (2)0.039 (1)0.069 (2)0.020 (1)0.000 (1)0.005 (1)
C60.044 (1)0.035 (1)0.056 (1)0.009 (1)0.006 (1)0.003 (1)
C70.035 (1)0.033 (1)0.032 (1)0.0096 (8)0.0012 (8)0.0054 (8)
C80.030 (1)0.0321 (9)0.033 (1)0.0087 (8)0.0061 (8)0.0118 (8)
C90.036 (1)0.035 (1)0.041 (1)0.0049 (9)0.0044 (9)0.0121 (9)
C100.036 (1)0.051 (1)0.052 (1)0.007 (1)0.015 (1)0.023 (1)
C110.049 (1)0.066 (2)0.042 (1)0.026 (1)0.019 (1)0.022 (1)
C120.057 (2)0.050 (1)0.037 (1)0.022 (1)0.009 (1)0.004 (1)
C130.042 (1)0.035 (1)0.039 (1)0.0089 (9)0.0070 (9)0.0077 (9)
C140.030 (1)0.0309 (9)0.034 (1)0.0086 (8)0.0043 (8)0.0101 (8)
C150.058 (2)0.036 (1)0.047 (1)0.011 (1)0.005 (1)0.009 (1)
C160.052 (2)0.091 (2)0.082 (2)0.034 (2)0.005 (2)0.025 (2)
C170.048 (2)0.075 (2)0.062 (2)0.022 (1)0.007 (1)0.028 (2)
C180.040 (1)0.042 (1)0.056 (1)0.006 (1)0.001 (1)0.014 (1)
C190.070 (2)0.051 (1)0.056 (2)0.026 (1)0.013 (1)0.011 (1)
C200.058 (2)0.031 (1)0.051 (1)0.009 (1)0.012 (1)0.008 (1)
Geometric parameters (Å, º) top
Cd1—N12.251 (2)C1—C71.491 (3)
Cd1—N32.232 (2)C2—C31.386 (4)
Cd1—O12.538 (2)C3—C41.376 (4)
Cd1—O22.390 (2)C3—H30.9300
Cd1—O42.404 (2)C4—C51.383 (4)
Cd1—O5i2.381 (2)C4—H40.9300
Cd1—O52.530 (2)C5—C61.378 (4)
O1—C71.243 (3)C5—H50.9300
O2—C71.281 (3)C6—H60.9300
O3—C21.361 (3)C8—C131.387 (3)
O3—H210.8200C8—C91.404 (3)
O4—C141.270 (3)C8—C141.494 (3)
O5—C141.249 (2)C9—C101.392 (3)
O5—Cd1i2.381 (2)C10—C111.367 (4)
O6—C91.354 (3)C10—H100.9300
O6—H220.8200C11—C121.389 (4)
N1—C151.314 (3)C11—H110.9300
N1—C171.374 (3)C12—C131.383 (3)
N2—C151.326 (4)C12—H120.9300
N2—C161.355 (4)C13—H130.9300
N2—H230.8600C15—H150.9300
N3—C181.309 (3)C16—C171.351 (4)
N3—C201.370 (3)C16—H160.9300
N4—C181.329 (3)C17—H170.9300
N4—C191.359 (4)C18—H180.9300
N4—H240.8600C19—C201.341 (4)
C1—C61.397 (3)C19—H190.9300
C1—C21.402 (3)C20—H200.9300
N1—Cd1—O189.93 (7)C5—C4—H4119.7
N1—Cd1—O282.76 (7)C5—C6—C1120.9 (2)
N1—Cd1—O491.76 (7)C5—C6—H6119.5
N1—Cd1—O586.54 (7)C6—C1—C2118.5 (2)
N1—Cd1—O5i90.44 (7)C6—C1—C7120.9 (2)
N3—Cd1—O189.10 (7)C6—C5—C4119.7 (3)
N3—Cd1—O293.93 (7)C6—C5—H5120.2
N3—Cd1—O491.57 (7)C7—O1—Cd189.3 (1)
N3—Cd1—O596.49 (7)C7—O2—Cd195.2 (1)
N3—Cd1—O5i88.45 (7)C8—C13—H13119.4
N3—Cd1—N1176.44 (7)C9—O6—H22109.5
N1—C15—N2111.4 (2)C9—C8—C14120.5 (2)
N1—C15—H15124.3C9—C10—H10119.8
N1—C17—H17125.5C10—C11—C12120.6 (2)
N2—C15—H15124.3C10—C11—H11119.7
N2—C16—H16126.8C10—C9—C8119.6 (2)
N3—C18—N4111.2 (2)C11—C10—C9120.5 (2)
N3—C18—H18124.4C11—C10—H10119.8
N3—C20—H20125.3C11—C12—H12120.4
N4—C18—H18124.4C12—C13—C8121.2 (2)
N4—C19—H19126.9C12—C13—H13119.4
O1—C7—C1121.7 (2)C12—C11—H11119.7
O1—C7—O2121.3 (2)C13—C8—C9118.8 (2)
O2—C7—C1117.0 (2)C13—C8—C14120.7 (2)
O2—Cd1—O152.93 (5)C13—C12—C11119.2 (2)
O2—Cd1—O4137.59 (5)C13—C12—H12120.4
O2—Cd1—O5165.21 (5)C14—O4—Cd195.9 (1)
O3—C2—C1120.8 (2)C14—O5—Cd1i164.3 (2)
O3—C2—C3119.0 (2)C14—O5—Cd190.5 (1)
O4—Cd1—O185.21 (6)C15—N1—C17105.4 (2)
O4—Cd1—O552.67 (5)C15—N1—Cd1126.8 (2)
O4—C14—C8118.3 (2)C15—N2—C16107.8 (2)
O5i—Cd1—O1146.03 (5)C15—N2—H23126.1
O5—Cd1—O1137.51 (5)C16—N2—H23126.1
O5i—Cd1—O293.47 (6)C16—C17—N1109.1 (3)
O5i—Cd1—O4128.73 (6)C16—C17—H17125.5
O5i—Cd1—O576.39 (6)C17—C16—N2106.3 (3)
O5—C14—C8120.8 (2)C17—C16—H16126.8
O6—C9—C8122.1 (2)C17—N1—Cd1127.1 (2)
O6—C9—C10118.3 (2)C18—N3—C20105.6 (2)
C1—C6—H6119.5C18—N3—Cd1124.0 (2)
C2—C1—C7120.6 (2)C18—N4—C19107.6 (2)
C2—C3—H3120.0C18—N4—H24126.2
C2—O3—H21109.5C19—C20—N3109.5 (2)
C3—C4—C5120.6 (3)C19—C20—H20125.3
C3—C4—H4119.7C19—N4—H24126.2
C3—C2—C1120.2 (2)C20—N3—Cd1130.3 (2)
C4—C3—C2120.1 (2)C20—C19—N4106.2 (2)
C4—C3—H3120.0C20—C19—H19126.9
C4—C5—H5120.2Cd1i—O5—Cd1103.61 (6)
Cd1—O1—C7—O211.2 (2)O5i—Cd1—O2—C7179.2 (1)
Cd1—O1—C7—C1166.7 (2)O5i—Cd1—O4—C147.1 (2)
Cd1—O2—C7—C1166.1 (2)O5—Cd1—O1—C7159.4 (1)
Cd1—O2—C7—O111.9 (2)O5i—Cd1—O1—C716.1 (2)
Cd1i—O5—C14—O4155.9 (5)O5—Cd1—O4—C140.6 (1)
Cd1—O5—C14—O41.1 (2)O5i—Cd1—O5—C14173.2 (2)
Cd1i—O5—C14—C823.8 (7)O5i—Cd1—O5—Cd1i0.0
Cd1—O5—C14—C8178.5 (2)O5i—Cd1—N1—C15145.8 (2)
Cd1—O4—C14—O51.2 (2)O5—Cd1—N1—C1569.5 (2)
Cd1—O4—C14—C8178.5 (2)O5i—Cd1—N1—C1745.3 (2)
Cd1—N1—C15—N2171.0 (2)O5—Cd1—N1—C17121.6 (2)
Cd1—N1—C17—C16170.8 (2)O5i—Cd1—N3—C18177.1 (2)
Cd1—N3—C18—N4176.7 (2)O5—Cd1—N3—C18101.0 (2)
Cd1—N3—C20—C19176.6 (2)O5i—Cd1—N3—C207.9 (2)
N1—Cd1—O1—C774.6 (1)O5—Cd1—N3—C2084.0 (2)
N1—Cd1—O2—C789.2 (1)O6—C9—C10—C11179.7 (2)
N1—Cd1—O4—C1484.9 (1)C1—C2—C3—C40.8 (4)
N1—Cd1—O5—C1495.5 (1)C2—C3—C4—C50.6 (5)
N1—Cd1—O5—Cd1i91.30 (8)C2—C1—C7—O1170.9 (2)
N2—C16—C17—N10.1 (4)C2—C1—C6—C50.1 (4)
N3—Cd1—O5—Cd1i86.81 (7)C2—C1—C7—O27.1 (3)
N3—Cd1—O5—C1486.4 (1)C3—C4—C5—C60.2 (5)
N3—Cd1—O4—C1496.3 (1)C4—C5—C6—C10.1 (5)
N3—Cd1—O2—C792.1 (1)C6—C1—C2—O3179.6 (2)
N3—Cd1—O1—C7102.0 (1)C6—C1—C2—C30.5 (3)
N4—C19—C20—N30.7 (3)C6—C1—C7—O17.8 (3)
O1—Cd1—O2—C76.2 (1)C6—C1—C7—O2174.2 (2)
O1—Cd1—O4—C14174.7 (1)C7—C1—C2—C3178.1 (2)
O1—Cd1—O5—C149.4 (2)C7—C1—C2—O31.8 (3)
O1—Cd1—O5—Cd1i177.41 (6)C7—C1—C6—C5178.6 (2)
O1—Cd1—N1—C1568.1 (2)C8—C9—C10—C111.4 (4)
O1—Cd1—N1—C17100.8 (2)C9—C10—C11—C120.3 (4)
O1—Cd1—N3—C1836.7 (2)C9—C8—C13—C120.4 (4)
O1—Cd1—N3—C20138.2 (2)C9—C8—C14—O5172.6 (2)
O2—Cd1—O1—C76.4 (1)C9—C8—C14—O47.1 (3)
O2—Cd1—O4—C14166.1 (1)C10—C11—C12—C130.8 (4)
O2—Cd1—O5—C14139.1 (2)C11—C12—C13—C80.7 (4)
O2—Cd1—O5—Cd1i47.7 (2)C13—C8—C9—O6179.6 (2)
O2—Cd1—N1—C15120.7 (2)C13—C8—C9—C101.4 (3)
O2—Cd1—N1—C1748.2 (2)C13—C8—C14—O56.2 (3)
O2—Cd1—N3—C1889.5 (2)C13—C8—C14—O4174.1 (2)
O2—Cd1—N3—C2085.5 (2)C14—C8—C9—C10177.4 (2)
O3—C2—C3—C4179.3 (2)C14—C8—C9—O60.8 (3)
O4—Cd1—N3—C20136.6 (2)C14—C8—C13—C12178.4 (2)
O4—Cd1—N3—C1848.4 (2)C15—N2—C16—C170.2 (4)
O4—Cd1—N1—C17174.0 (2)C15—N1—C17—C160.0 (3)
O4—Cd1—N1—C1517.1 (2)C16—N2—C15—N10.2 (3)
O4—Cd1—O5—Cd1i173.8 (1)C17—N1—C15—N20.2 (3)
O4—Cd1—O5—C140.6 (1)C18—N3—C20—C190.9 (3)
O4—Cd1—O1—C7166.3 (1)C18—N4—C19—C200.3 (3)
O4—Cd1—O2—C74.5 (2)C19—N4—C18—N30.3 (3)
O5—Cd1—O2—C7133.1 (2)C20—N3—C18—N40.7 (3)
Symmetry code: (i) x, y+2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H21···O20.821.752.486 (2)149
O6—H22···O40.821.822.547 (2)147
N2—H23···O1ii0.862.132.847 (3)140
N4—H24···O3iii0.862.032.884 (3)172
Symmetry codes: (ii) x, y+1, z; (iii) x+1, y, z.
 

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