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The title dinuclear complex, [Cd2(C15H10ClN3O4)2(C5H5N)4], lies on a centre of inversion. The deprotonated Schiff base spans the meridional sites of the octahedron surrounding the Cd atom through its O, N and O atoms; the hydroxy O atom of the symmetry-related anion forms a square plane with these atoms, and the other two sites of the octahedron are occupied by the N atoms of the pyridine ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805002953/bt6595sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805002953/bt6595Isup2.hkl
Contains datablock I

CCDC reference: 269370

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.058
  • wR factor = 0.131
  • Data-to-parameter ratio = 17.5

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.68 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; 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-5-chloro-2-hydroxyacetophenone 4-nitrobenzoylhydrazonato)bis[dipyridinecadmium(II)] top
Crystal data top
[Cd2(C15H10ClN3O4)2(C5H5N)4]F(000) = 2416
Mr = 1204.62Dx = 1.579 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 4294 reflections
a = 19.115 (2) Åθ = 1.9–27.5°
b = 12.012 (1) ŵ = 1.01 mm1
c = 22.071 (2) ÅT = 298 K
β = 90.024 (1)°Plate, orange
V = 5067.8 (8) Å30.29 × 0.26 × 0.07 mm
Z = 4
Data collection top
Bruker APEX area-detector
diffractometer
5692 independent reflections
Radiation source: fine-focus sealed tube4632 reflections with I > \2s(I)
Graphite monochromatorRint = 0.034
φ and ω scansθmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 2424
Tmin = 0.759, Tmax = 0.933k = 1514
14778 measured reflectionsl = 1428
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)] = 0.058Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131H-atom parameters constrained
S = 1.15 w = 1/[σ2(Fo2) + (0.0653P)2 + 1.6639P]
where P = (Fo2 + 2Fc2)/3
5692 reflections(Δ/σ)max = 0.001
326 parametersΔρmax = 1.09 e Å3
0 restraintsΔρmin = 0.92 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.528290 (16)0.60382 (2)0.450383 (14)0.03341 (12)
Cl10.79533 (7)0.19353 (12)0.37763 (7)0.0650 (4)
O10.55201 (15)0.4254 (2)0.47794 (14)0.0369 (7)
O20.41970 (16)0.2882 (2)0.61811 (14)0.0453 (8)
O30.2457 (2)0.0876 (3)0.7949 (2)0.0696 (12)
O40.3017 (2)0.2225 (3)0.75426 (19)0.0709 (12)
N10.52670 (18)0.2240 (3)0.54651 (16)0.0346 (8)
N20.49475 (19)0.1464 (3)0.58457 (17)0.0406 (9)
N30.2902 (2)0.1241 (3)0.76120 (19)0.0492 (10)
N40.6227 (2)0.6561 (3)0.51736 (17)0.0428 (9)
N50.4717 (2)0.5242 (3)0.36449 (17)0.0450 (9)
C10.6053 (2)0.3660 (3)0.45643 (18)0.0316 (9)
C20.6491 (3)0.4180 (4)0.4140 (2)0.0414 (11)
H20.63880.49050.40210.050*
C30.7063 (2)0.3668 (4)0.3893 (2)0.0434 (11)
H30.73350.40290.36050.052*
C40.7225 (2)0.2613 (4)0.4080 (2)0.0431 (11)
C50.6811 (2)0.2075 (4)0.4485 (2)0.0435 (11)
H50.69300.13530.45970.052*
C60.6207 (2)0.2560 (3)0.47454 (19)0.0333 (9)
C70.5806 (2)0.1869 (3)0.5175 (2)0.0385 (10)
C80.6047 (4)0.0683 (4)0.5279 (3)0.085 (2)
H8a0.57410.03270.55650.128*
H8b0.65150.06870.54360.128*
H8c0.60360.02830.49030.128*
C90.4424 (2)0.1878 (3)0.61687 (19)0.0353 (9)
C100.4062 (2)0.1051 (4)0.6566 (2)0.0393 (10)
C110.4198 (3)0.0089 (4)0.6527 (2)0.0557 (14)
H110.45400.03470.62630.067*
C120.3828 (3)0.0837 (4)0.6878 (3)0.0550 (14)
H120.39220.15960.68560.066*
C130.3323 (2)0.0448 (4)0.7258 (2)0.0424 (11)
C140.3178 (3)0.0667 (4)0.7307 (2)0.0476 (12)
H140.28310.09160.75690.057*
C150.3553 (3)0.1415 (4)0.6960 (2)0.0431 (11)
H150.34610.21720.69930.052*
C160.6673 (3)0.5848 (4)0.5433 (2)0.0481 (12)
H160.66070.50890.53740.058*
C170.7229 (3)0.6198 (4)0.5785 (3)0.0593 (14)
H170.75290.56780.59580.071*
C180.7337 (3)0.7304 (5)0.5880 (3)0.0634 (15)
H180.77140.75540.61100.076*
C190.6873 (3)0.8036 (5)0.5626 (3)0.0689 (16)
H190.69230.87980.56880.083*
C200.6333 (3)0.7636 (4)0.5277 (3)0.0597 (14)
H200.60260.81450.51040.072*
C210.4634 (3)0.4157 (4)0.3563 (2)0.0535 (13)
H210.48120.36750.38540.064*
C220.4298 (3)0.3705 (6)0.3068 (3)0.0696 (17)
H220.42560.29370.30250.084*
C230.4028 (3)0.4408 (6)0.2644 (3)0.0722 (18)
H230.37880.41290.23100.087*
C240.4115 (3)0.5524 (6)0.2715 (3)0.0653 (15)
H240.39490.60180.24240.078*
C250.4451 (3)0.5908 (5)0.3219 (3)0.0544 (13)
H250.44960.66740.32690.065*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03772 (18)0.02352 (17)0.03898 (19)0.00385 (13)0.01049 (13)0.00630 (12)
Cl10.0515 (7)0.0697 (9)0.0739 (9)0.0225 (7)0.0301 (7)0.0063 (7)
O10.0399 (16)0.0265 (15)0.0444 (17)0.0092 (12)0.0162 (14)0.0052 (12)
O20.0528 (19)0.0281 (16)0.055 (2)0.0054 (14)0.0229 (16)0.0108 (14)
O30.070 (3)0.055 (2)0.084 (3)0.0007 (19)0.038 (2)0.018 (2)
O40.079 (3)0.040 (2)0.094 (3)0.0047 (19)0.026 (2)0.0220 (19)
N10.0376 (19)0.0266 (18)0.040 (2)0.0005 (14)0.0097 (16)0.0069 (14)
N20.043 (2)0.0283 (18)0.051 (2)0.0019 (16)0.0168 (18)0.0108 (16)
N30.055 (3)0.039 (2)0.054 (3)0.0033 (19)0.012 (2)0.0171 (19)
N40.044 (2)0.036 (2)0.049 (2)0.0007 (17)0.0003 (18)0.0032 (17)
N50.045 (2)0.049 (2)0.041 (2)0.0002 (18)0.0092 (18)0.0002 (18)
C10.036 (2)0.029 (2)0.030 (2)0.0024 (16)0.0020 (17)0.0007 (16)
C20.051 (3)0.027 (2)0.046 (3)0.0035 (19)0.012 (2)0.0083 (18)
C30.046 (3)0.045 (3)0.039 (3)0.004 (2)0.018 (2)0.004 (2)
C40.037 (2)0.048 (3)0.044 (3)0.013 (2)0.012 (2)0.003 (2)
C50.039 (2)0.036 (2)0.056 (3)0.0105 (19)0.013 (2)0.001 (2)
C60.035 (2)0.028 (2)0.037 (2)0.0041 (17)0.0068 (18)0.0016 (17)
C70.037 (2)0.028 (2)0.050 (3)0.0062 (18)0.011 (2)0.0049 (19)
C80.090 (5)0.036 (3)0.130 (6)0.028 (3)0.066 (4)0.038 (3)
C90.036 (2)0.028 (2)0.042 (2)0.0029 (18)0.0041 (18)0.0044 (18)
C100.040 (2)0.035 (2)0.043 (3)0.0012 (19)0.0045 (19)0.0087 (19)
C110.062 (3)0.036 (3)0.070 (3)0.010 (2)0.032 (3)0.009 (2)
C120.065 (3)0.027 (2)0.073 (4)0.004 (2)0.025 (3)0.014 (2)
C130.044 (3)0.039 (3)0.044 (3)0.005 (2)0.008 (2)0.012 (2)
C140.053 (3)0.037 (2)0.052 (3)0.003 (2)0.018 (2)0.006 (2)
C150.054 (3)0.029 (2)0.046 (3)0.002 (2)0.013 (2)0.0040 (19)
C160.056 (3)0.032 (2)0.057 (3)0.004 (2)0.002 (2)0.000 (2)
C170.059 (3)0.047 (3)0.072 (4)0.016 (2)0.017 (3)0.003 (3)
C180.059 (4)0.059 (4)0.072 (4)0.000 (3)0.021 (3)0.004 (3)
C190.081 (4)0.043 (3)0.082 (4)0.000 (3)0.026 (3)0.006 (3)
C200.067 (4)0.036 (3)0.076 (4)0.009 (3)0.016 (3)0.001 (3)
C210.064 (3)0.046 (3)0.050 (3)0.007 (2)0.007 (3)0.002 (2)
C220.080 (4)0.069 (4)0.060 (4)0.019 (3)0.003 (3)0.016 (3)
C230.062 (4)0.105 (5)0.049 (3)0.017 (4)0.004 (3)0.011 (3)
C240.045 (3)0.086 (5)0.066 (4)0.010 (3)0.004 (3)0.012 (3)
C250.046 (3)0.055 (3)0.062 (4)0.007 (2)0.004 (3)0.004 (3)
Geometric parameters (Å, º) top
Cd1—O12.273 (3)C8—H8b0.9600
Cd1—O1i2.232 (3)C8—H8c0.9600
Cd1—O2i2.227 (3)C9—C101.495 (6)
Cd1—N1i2.321 (3)C10—C151.376 (6)
Cd1—N42.415 (4)C10—C111.397 (6)
Cd1—N52.382 (4)C11—C121.382 (7)
Cl1—C41.746 (4)C11—H110.9300
O1—C11.331 (5)C12—C131.361 (7)
O2—C91.282 (5)C12—H120.9300
O3—N31.212 (5)C13—C141.371 (7)
O4—N31.212 (5)C14—C151.381 (6)
N1—C71.292 (5)C14—H140.9300
N1—N21.395 (5)C15—H150.9300
N2—C91.325 (5)C16—C171.382 (7)
N3—C131.471 (6)C16—H160.9300
N4—C201.326 (6)C17—C181.360 (7)
N4—C161.338 (6)C17—H170.9300
N5—C211.326 (6)C18—C191.370 (8)
N5—C251.335 (6)C18—H180.9300
C1—C21.404 (6)C19—C201.374 (8)
C1—C61.412 (6)C19—H190.9300
C2—C31.367 (6)C20—H200.9300
C2—H20.9300C21—C221.379 (8)
C3—C41.368 (6)C21—H210.9300
C3—H30.9300C22—C231.361 (9)
C4—C51.359 (6)C22—H220.9300
C5—C61.415 (6)C23—C241.361 (9)
C5—H50.9300C23—H230.9300
C6—C71.475 (6)C24—C251.364 (8)
C7—C81.515 (6)C24—H240.9300
C8—H8a0.9600C25—H250.9300
O1—Cd1—O1i78.4 (1)H8a—C8—H8b109.5
O1—Cd1—O2i129.9 (1)C7—C8—H8c109.5
O1—Cd1—N1i157.3 (1)H8a—C8—H8c109.5
O1—Cd1—N486.1 (1)H8b—C8—H8c109.5
O1i—Cd1—N5100.9 (1)O2—C9—N2128.3 (4)
O1i—Cd1—O2i151.71 (1)O2—C9—C10117.1 (4)
O1i—Cd1—N1i78.9 (1)N2—C9—C10114.6 (4)
O1i—Cd1—N497.0 (1)C15—C10—C11118.8 (4)
O1—Cd1—N585.7 (1)C15—C10—C9119.2 (4)
O2i—Cd1—N1i72.7 (1)C11—C10—C9122.0 (4)
O2i—Cd1—N486.0 (1)C12—C11—C10120.6 (4)
O2i—Cd1—N584.0 (1)C12—C11—H11119.7
N1i—Cd1—N495.1 (1)C10—C11—H11119.7
N1i—Cd1—N5100.1 (1)C13—C12—C11119.0 (4)
N4—Cd1—N5158.5 (1)C13—C12—H12120.5
C1—O1—Cd1i134.0 (2)C11—C12—H12120.5
C1—O1—Cd1124.2 (2)C12—C13—C14121.8 (4)
Cd1—O1—Cd1i101.6 (1)C12—C13—N3119.5 (4)
C9—O2—Cd1i112.5 (2)C14—C13—N3118.7 (4)
C7—N1—N2114.7 (3)C13—C14—C15119.1 (4)
C7—N1—Cd1i133.1 (3)C13—C14—H14120.4
N2—N1—Cd1i112.3 (2)C15—C14—H14120.4
C9—N2—N1113.8 (3)C10—C15—C14120.8 (4)
O3—N3—O4123.9 (4)C10—C15—H15119.6
O3—N3—C13118.4 (4)C14—C15—H15119.6
O4—N3—C13117.7 (4)N4—C16—C17122.4 (4)
C20—N4—C16116.9 (4)N4—C16—H16118.8
C20—N4—Cd1118.2 (3)C17—C16—H16118.8
C16—N4—Cd1124.9 (3)C18—C17—C16120.0 (5)
C21—N5—C25116.6 (5)C18—C17—H17120.0
C21—N5—Cd1123.9 (4)C16—C17—H17120.0
C25—N5—Cd1119.5 (4)C17—C18—C19117.8 (5)
O1—C1—C2117.2 (4)C17—C18—H18121.1
O1—C1—C6124.0 (4)C19—C18—H18121.1
C2—C1—C6118.8 (4)C18—C19—C20119.4 (5)
C3—C2—C1122.9 (4)C18—C19—H19120.3
C3—C2—H2118.6C20—C19—H19120.3
C1—C2—H2118.6N4—C20—C19123.5 (5)
C2—C3—C4118.6 (4)N4—C20—H20118.2
C2—C3—H3120.7C19—C20—H20118.2
C4—C3—H3120.7N5—C21—C22123.5 (5)
C5—C4—C3120.4 (4)N5—C21—H21118.3
C5—C4—Cl1119.7 (4)C22—C21—H21118.3
C3—C4—Cl1119.8 (4)C23—C22—C21118.4 (6)
C4—C5—C6123.2 (4)C23—C22—H22120.8
C4—C5—H5118.4C21—C22—H22120.8
C6—C5—H5118.4C24—C23—C22119.1 (6)
C1—C6—C5116.1 (4)C24—C23—H23120.5
C1—C6—C7126.9 (4)C22—C23—H23120.5
C5—C6—C7116.9 (4)C23—C24—C25119.0 (6)
N1—C7—C6122.6 (4)C23—C24—H24120.5
N1—C7—C8119.4 (4)C25—C24—H24120.5
C6—C7—C8118.0 (4)N5—C25—C24123.4 (5)
C7—C8—H8a109.5N5—C25—H25118.3
C7—C8—H8b109.5C24—C25—H25118.3
O2i—Cd1—O1—C13.8 (4)C4—C5—C6—C7179.5 (5)
O1i—Cd1—O1—C1175.6 (4)N2—N1—C7—C6179.1 (4)
N1i—Cd1—O1—C1171.6 (3)Cd1i—N1—C7—C61.8 (7)
N5—Cd1—O1—C182.4 (3)N2—N1—C7—C81.4 (7)
N4—Cd1—O1—C177.7 (3)Cd1i—N1—C7—C8177.6 (4)
O2i—Cd1—O1—Cd1i179.42 (13)C1—C6—C7—N13.6 (8)
O1i—Cd1—O1—Cd1i0.0C5—C6—C7—N1176.3 (4)
N1i—Cd1—O1—Cd1i4.0 (4)C1—C6—C7—C8176.9 (5)
N5—Cd1—O1—Cd1i102.04 (14)C5—C6—C7—C83.1 (7)
N4—Cd1—O1—Cd1i97.91 (14)Cd1i—O2—C9—N26.0 (6)
C7—N1—N2—C9175.8 (4)Cd1i—O2—C9—C10174.0 (3)
Cd1i—N1—N2—C93.4 (5)N1—N2—C9—O21.7 (7)
O2i—Cd1—N4—C2056.4 (4)N1—N2—C9—C10178.3 (4)
O1i—Cd1—N4—C2095.2 (4)O2—C9—C10—C155.8 (7)
O1—Cd1—N4—C20173.1 (4)N2—C9—C10—C15174.2 (4)
N1i—Cd1—N4—C2015.8 (4)O2—C9—C10—C11170.8 (5)
N5—Cd1—N4—C20119.0 (5)N2—C9—C10—C119.2 (7)
O2i—Cd1—N4—C16120.8 (4)C15—C10—C11—C120.1 (8)
O1i—Cd1—N4—C1687.6 (4)C9—C10—C11—C12176.6 (5)
O1—Cd1—N4—C169.7 (4)C10—C11—C12—C130.6 (9)
N1i—Cd1—N4—C16167.0 (4)C11—C12—C13—C140.7 (9)
N5—Cd1—N4—C1658.2 (6)C11—C12—C13—N3177.0 (5)
O2i—Cd1—N5—C21135.8 (4)O3—N3—C13—C12179.8 (5)
O1i—Cd1—N5—C2172.5 (4)O4—N3—C13—C121.1 (8)
O1—Cd1—N5—C214.8 (4)O3—N3—C13—C142.4 (7)
N1i—Cd1—N5—C21153.0 (4)O4—N3—C13—C14176.7 (5)
N4—Cd1—N5—C2172.8 (5)C12—C13—C14—C150.0 (8)
O2i—Cd1—N5—C2545.6 (4)N3—C13—C14—C15177.7 (5)
O1i—Cd1—N5—C25106.1 (4)C11—C10—C15—C140.7 (8)
O1—Cd1—N5—C25176.5 (4)C9—C10—C15—C14176.0 (4)
N1i—Cd1—N5—C2525.6 (4)C13—C14—C15—C100.7 (8)
N4—Cd1—N5—C25108.5 (5)C20—N4—C16—C171.0 (8)
Cd1i—O1—C1—C2174.1 (3)Cd1—N4—C16—C17176.2 (4)
Cd1—O1—C1—C20.1 (5)N4—C16—C17—C180.1 (9)
Cd1i—O1—C1—C64.7 (6)C16—C17—C18—C191.2 (10)
Cd1—O1—C1—C6178.7 (3)C17—C18—C19—C201.6 (10)
O1—C1—C2—C3178.8 (4)C16—N4—C20—C190.6 (8)
C6—C1—C2—C30.1 (7)Cd1—N4—C20—C19176.8 (5)
C1—C2—C3—C41.7 (8)C18—C19—C20—N40.7 (10)
C2—C3—C4—C52.3 (8)C25—N5—C21—C220.4 (8)
C2—C3—C4—Cl1179.8 (4)Cd1—N5—C21—C22179.1 (4)
C3—C4—C5—C61.2 (8)N5—C21—C22—C230.8 (9)
Cl1—C4—C5—C6179.1 (4)C21—C22—C23—C241.6 (9)
O1—C1—C6—C5177.6 (4)C22—C23—C24—C252.1 (9)
C2—C1—C6—C51.2 (6)C21—N5—C25—C240.9 (8)
O1—C1—C6—C72.3 (7)Cd1—N5—C25—C24179.7 (4)
C2—C1—C6—C7178.9 (4)C23—C24—C25—N51.8 (9)
C4—C5—C6—C10.5 (7)
Symmetry code: (i) x+1, y+1, z+1.
 

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