Literature DB >> 21583008

Tris(phenyl 2-pyridyl ketone oxime-κN,N')cadmium(II) dinitrate.

Juan Yan1, Guang-Xiang Liu.   

Abstract

The Cd atom in the title compound, [Cd(C(12)H(10)N(2)O)(3)](NO(3))(2), adopts a distorted octa-hedral geometry, being ligated by six N atoms from three different phenyl-2-pyridyl ketone oxime ligands. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a chain structure propagating along [100]. The chains are further linked into a three-dimensional supra-molecular structure via van der Waals forces.

Entities:  

Year:  2009        PMID： 21583008      PMCID： PMC2969799          DOI： 10.1107/S1600536809017073

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For related structures, see: Korpi et al. (2005 ▶); Pearse et al. (1989 ▶); Afrati et al. (2005 ▶); Stamatatos et al. (2006 ▶). For related literature on 2-pyridyl-substituted oximes, see: Papatrianta­fyllopoulou et al. (2007 ▶).

Experimental

Crystal data

[Cd(C12H10N2O)3](NO3)2 M = 831.08 Triclinic, a = 10.618 (3) Å b = 11.687 (4) Å c = 15.279 (5) Å α = 101.263 (4)° β = 100.166 (4)° γ = 101.807 (4)° V = 1773.3 (10) Å3 Z = 2 Mo Kα radiation μ = 0.68 mm−1 T = 293 K 0.24 × 0.22 × 0.18 mm

Data collection

Bruker SMART Apex CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.853, T max = 0.887 13329 measured reflections 6526 independent reflections 4387 reflections with I > 2σ(I) R int = 0.041

Refinement

R[F 2 > 2σ(F 2)] = 0.046 wR(F 2) = 0.077 S = 1.08 6526 reflections 490 parameters H-atom parameters constrained Δρmax = 0.45 e Å−3 Δρmin = −0.54 e Å−3 Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks I, New_Global_Publ_Block. DOI: 10.1107/S1600536809017073/at2779sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809017073/at2779Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Cd(C12H10N2O)3](NO3)2Z = 2
Mr = 831.08F(000) = 844
Triclinic, P1Dx = 1.556 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.618 (3) ÅCell parameters from 3787 reflections
b = 11.687 (4) Åθ = 2.4–24.4°
c = 15.279 (5) ŵ = 0.68 mm−1
α = 101.263 (4)°T = 293 K
β = 100.166 (4)°Block, colourless
γ = 101.807 (4)°0.24 × 0.22 × 0.18 mm
V = 1773.3 (10) Å3
Bruker SMART Apex CCD area-detector diffractometer6526 independent reflections
Radiation source: sealed tube4387 reflections with I > 2σ(I)
graphiteRint = 0.041
phi and ω scansθmax = 25.5°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Bruker, 2000)h = −12→12
Tmin = 0.853, Tmax = 0.887k = −13→14
13329 measured reflectionsl = −18→17
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H-atom parameters constrained
S = 1.08w = 1/[σ2(Fo2) + (0.010P)2 + 0.9209P] where P = (Fo2 + 2Fc2)/3
6526 reflections(Δ/σ)max < 0.001
490 parametersΔρmax = 0.45 e Å−3
0 restraintsΔρmin = −0.54 e Å−3
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.
xyzUiso*/Ueq
Cd10.39932 (3)0.31776 (3)0.24172 (2)0.04876 (12)
N10.6295 (3)0.3685 (3)0.2886 (2)0.0444 (9)
N20.5000 (3)0.2396 (3)0.1219 (2)0.0427 (8)
N30.4239 (3)0.4973 (3)0.1957 (2)0.0421 (8)
N40.3093 (3)0.4563 (3)0.3321 (2)0.0421 (8)
N50.3952 (3)0.1499 (3)0.3045 (2)0.0426 (9)
N60.1810 (3)0.1985 (3)0.2194 (2)0.0424 (8)
N70.1902 (3)0.3451 (4)0.0246 (3)0.0670 (12)
N80.3849 (5)0.2736 (4)0.5251 (3)0.0751 (13)
O10.4373 (3)0.1901 (3)0.02985 (19)0.0568 (8)
H10.36080.19640.02150.085*
O20.2339 (3)0.4255 (3)0.39257 (19)0.0524 (8)
H20.26880.38540.42320.079*
O30.0693 (3)0.2320 (3)0.1822 (2)0.0615 (8)
H30.08860.27820.14980.092*
O40.1362 (3)0.3998 (3)0.0776 (2)0.0938 (12)
O50.2140 (4)0.3763 (4)−0.0428 (3)0.1087 (14)
O60.2210 (3)0.2537 (4)0.0439 (3)0.0946 (12)
O70.4502 (5)0.3435 (4)0.4894 (3)0.1285 (17)
O80.2671 (4)0.2615 (4)0.5008 (3)0.1301 (18)
O90.4367 (5)0.2216 (4)0.5717 (3)0.1331 (18)
C10.6938 (4)0.4314 (4)0.3723 (3)0.0514 (11)
H1A0.64690.46850.41030.062*
C20.8274 (4)0.4444 (4)0.4061 (3)0.0586 (13)
H2A0.87000.49080.46460.070*
C30.8948 (4)0.3864 (4)0.3503 (3)0.0625 (14)
H3A0.98360.39020.37150.075*
C40.8300 (4)0.3226 (4)0.2628 (3)0.0484 (11)
H40.87510.28390.22420.058*
C50.6979 (4)0.3163 (3)0.2325 (3)0.0376 (10)
C60.6255 (4)0.2552 (3)0.1382 (3)0.0374 (10)
C70.7001 (4)0.2251 (4)0.0665 (3)0.0426 (10)
C80.6898 (4)0.1069 (4)0.0231 (3)0.0631 (13)
H80.63570.04410.03850.076*
C90.7599 (5)0.0828 (5)−0.0427 (4)0.0842 (17)
H90.75270.0034−0.07200.101*
C100.8401 (5)0.1739 (6)−0.0658 (4)0.0833 (17)
H100.88770.1564−0.11010.100*
C110.8501 (4)0.2905 (5)−0.0238 (3)0.0689 (14)
H110.90360.3525−0.04040.083*
C120.7816 (4)0.3176 (4)0.0431 (3)0.0532 (12)
H120.79010.39740.07230.064*
C130.5020 (4)0.5307 (4)0.1411 (3)0.0591 (13)
H130.54720.47640.11680.071*
C140.5201 (4)0.6396 (4)0.1186 (3)0.0596 (13)
H140.57650.65910.08060.071*
C150.4529 (4)0.7188 (4)0.1534 (3)0.0515 (12)
H150.46140.79310.13850.062*
C160.3725 (4)0.6877 (3)0.2106 (3)0.0492 (11)
H160.32620.74080.23490.059*
C170.3608 (3)0.5765 (3)0.2320 (2)0.0350 (9)
C180.2810 (3)0.5415 (3)0.2966 (2)0.0352 (9)
C190.1797 (4)0.6062 (3)0.3191 (3)0.0396 (10)
C200.0747 (4)0.6039 (4)0.2504 (3)0.0551 (12)
H200.06910.56410.19030.066*
C21−0.0220 (5)0.6609 (5)0.2712 (4)0.0768 (16)
H21−0.09210.65960.22460.092*
C22−0.0163 (6)0.7188 (5)0.3584 (5)0.086 (2)
H22−0.08280.75530.37200.103*
C230.0890 (6)0.7224 (4)0.4261 (4)0.0761 (16)
H230.09400.76270.48590.091*
C240.1879 (4)0.6674 (3)0.4070 (3)0.0553 (12)
H240.25950.67190.45360.066*
C250.5031 (4)0.1182 (4)0.3414 (3)0.0510 (12)
H250.58520.16620.34240.061*
C260.5001 (4)0.0196 (4)0.3777 (3)0.0570 (12)
H260.5775−0.00010.40140.068*
C270.3793 (4)−0.0487 (4)0.3776 (3)0.0508 (11)
H270.3735−0.11580.40240.061*
C280.2668 (4)−0.0187 (3)0.3412 (3)0.0498 (11)
H280.1843−0.06540.34050.060*
C290.2771 (4)0.0812 (3)0.3057 (2)0.0342 (9)
C300.1588 (4)0.1179 (3)0.2634 (3)0.0370 (9)
C310.0258 (4)0.0574 (3)0.2733 (3)0.0404 (10)
C32−0.0003 (4)0.0635 (4)0.3599 (3)0.0518 (11)
H320.06350.10830.41180.062*
C33−0.1227 (4)0.0021 (4)0.3680 (4)0.0642 (14)
H33−0.14160.00740.42560.077*
C34−0.2156 (4)−0.0661 (4)0.2919 (4)0.0690 (15)
H34−0.2964−0.10860.29820.083*
C35−0.1901 (4)−0.0721 (4)0.2063 (4)0.0726 (15)
H35−0.2538−0.11820.15470.087*
C36−0.0694 (4)−0.0095 (4)0.1965 (3)0.0597 (13)
H36−0.0527−0.01250.13850.072*
U11U22U33U12U13U23
Cd10.03717 (17)0.04326 (19)0.0802 (3)0.01777 (14)0.02862 (17)0.02601 (17)
N10.041 (2)0.036 (2)0.057 (3)0.0085 (16)0.0198 (19)0.0055 (19)
N20.040 (2)0.043 (2)0.041 (2)0.0079 (17)0.0013 (18)0.0117 (18)
N30.0376 (19)0.043 (2)0.054 (2)0.0149 (16)0.0173 (17)0.0192 (18)
N40.051 (2)0.046 (2)0.038 (2)0.0164 (17)0.0197 (17)0.0167 (18)
N50.0320 (19)0.045 (2)0.059 (2)0.0132 (16)0.0172 (17)0.0218 (18)
N60.0314 (18)0.051 (2)0.048 (2)0.0167 (17)0.0053 (17)0.0173 (19)
N70.034 (2)0.087 (4)0.074 (3)0.015 (2)0.007 (2)0.010 (3)
N80.086 (4)0.054 (3)0.077 (4)0.034 (3)−0.007 (3)0.003 (3)
O10.0427 (18)0.064 (2)0.052 (2)0.0047 (17)−0.0019 (16)0.0074 (17)
O20.070 (2)0.060 (2)0.0440 (19)0.0276 (16)0.0248 (17)0.0282 (16)
O30.0425 (17)0.078 (2)0.080 (2)0.0250 (16)0.0141 (16)0.0456 (19)
O40.062 (2)0.109 (3)0.093 (3)0.022 (2)0.018 (2)−0.016 (2)
O50.132 (4)0.123 (3)0.101 (3)0.045 (3)0.053 (3)0.058 (3)
O60.078 (3)0.104 (3)0.129 (4)0.041 (2)0.043 (2)0.054 (3)
O70.152 (4)0.094 (3)0.141 (4)0.023 (3)0.040 (3)0.032 (3)
O80.074 (3)0.107 (3)0.177 (5)0.026 (3)−0.015 (3)−0.005 (3)
O90.183 (5)0.126 (4)0.120 (4)0.095 (4)0.011 (3)0.059 (3)
C10.054 (3)0.049 (3)0.047 (3)0.009 (2)0.017 (2)0.002 (2)
C20.052 (3)0.070 (3)0.040 (3)−0.005 (3)0.005 (2)0.007 (3)
C30.031 (2)0.100 (4)0.055 (3)0.008 (3)0.007 (2)0.026 (3)
C40.037 (2)0.075 (3)0.036 (3)0.019 (2)0.009 (2)0.012 (2)
C50.034 (2)0.036 (2)0.044 (3)0.0074 (19)0.015 (2)0.010 (2)
C60.031 (2)0.032 (2)0.048 (3)0.0077 (18)0.009 (2)0.008 (2)
C70.037 (2)0.050 (3)0.042 (3)0.015 (2)0.009 (2)0.010 (2)
C80.075 (3)0.054 (3)0.068 (3)0.024 (3)0.029 (3)0.012 (3)
C90.100 (4)0.075 (4)0.079 (4)0.033 (3)0.038 (4)−0.005 (3)
C100.076 (4)0.115 (5)0.071 (4)0.041 (4)0.040 (3)0.014 (4)
C110.053 (3)0.105 (4)0.056 (3)0.016 (3)0.020 (3)0.033 (3)
C120.048 (3)0.065 (3)0.044 (3)0.014 (2)0.008 (2)0.010 (2)
C130.057 (3)0.054 (3)0.085 (4)0.020 (2)0.043 (3)0.031 (3)
C140.055 (3)0.061 (3)0.076 (4)0.012 (2)0.034 (3)0.034 (3)
C150.055 (3)0.041 (3)0.058 (3)0.002 (2)0.010 (2)0.022 (2)
C160.059 (3)0.035 (2)0.056 (3)0.011 (2)0.018 (2)0.014 (2)
C170.029 (2)0.037 (2)0.036 (2)0.0046 (18)0.0019 (19)0.008 (2)
C180.037 (2)0.036 (2)0.030 (2)0.0083 (19)0.0039 (19)0.007 (2)
C190.049 (3)0.039 (2)0.039 (3)0.018 (2)0.015 (2)0.015 (2)
C200.061 (3)0.071 (3)0.045 (3)0.031 (3)0.014 (2)0.024 (3)
C210.063 (3)0.089 (4)0.109 (5)0.045 (3)0.032 (3)0.058 (4)
C220.104 (5)0.071 (4)0.134 (6)0.056 (4)0.082 (5)0.056 (4)
C230.117 (5)0.056 (3)0.083 (4)0.042 (3)0.062 (4)0.026 (3)
C240.074 (3)0.042 (3)0.060 (3)0.018 (2)0.032 (3)0.017 (2)
C250.030 (2)0.054 (3)0.073 (3)0.010 (2)0.008 (2)0.029 (3)
C260.051 (3)0.055 (3)0.073 (4)0.020 (2)0.018 (3)0.024 (3)
C270.060 (3)0.041 (3)0.056 (3)0.018 (2)0.014 (3)0.019 (2)
C280.049 (3)0.039 (3)0.068 (3)0.011 (2)0.022 (2)0.019 (2)
C290.038 (2)0.035 (2)0.031 (2)0.0114 (19)0.0088 (19)0.0081 (19)
C300.035 (2)0.036 (2)0.039 (3)0.0088 (19)0.010 (2)0.005 (2)
C310.032 (2)0.042 (3)0.049 (3)0.010 (2)0.012 (2)0.012 (2)
C320.046 (3)0.051 (3)0.055 (3)0.005 (2)0.016 (2)0.009 (2)
C330.054 (3)0.063 (3)0.082 (4)0.011 (3)0.040 (3)0.012 (3)
C340.040 (3)0.061 (3)0.100 (5)0.002 (3)0.023 (3)0.009 (3)
C350.039 (3)0.082 (4)0.075 (4)−0.008 (3)0.003 (3)−0.001 (3)
C360.043 (3)0.066 (3)0.064 (3)0.005 (2)0.016 (3)0.007 (3)
Cd1—N32.320 (3)C11—C121.380 (5)
Cd1—N12.337 (3)C11—H110.9300
Cd1—N52.342 (3)C12—H120.9300
Cd1—N62.376 (3)C13—C141.368 (5)
Cd1—N42.380 (3)C13—H130.9300
Cd1—N22.402 (3)C14—C151.364 (5)
N1—C11.327 (5)C14—H140.9300
N1—C51.353 (4)C15—C161.374 (5)
N2—C61.279 (4)C15—H150.9300
N2—O11.396 (4)C16—C171.387 (5)
N3—C131.332 (4)C16—H160.9300
N3—C171.341 (4)C17—C181.474 (5)
N4—C181.285 (4)C18—C191.486 (5)
N4—O21.378 (3)C19—C241.372 (5)
N5—C251.340 (4)C19—C201.382 (5)
N5—C291.349 (4)C20—C211.382 (5)
N6—C301.269 (4)C20—H200.9300
N6—O31.386 (3)C21—C221.356 (7)
N7—O51.208 (5)C21—H210.9300
N7—O41.227 (4)C22—C231.370 (7)
N7—O61.252 (5)C22—H220.9300
N8—O91.161 (5)C23—C241.382 (6)
N8—O81.210 (5)C23—H230.9300
N8—O71.234 (5)C24—H240.9300
O1—H10.8200C25—C261.371 (5)
O2—H20.8200C25—H250.9300
O3—H30.8200C26—C271.365 (5)
C1—C21.388 (5)C26—H260.9300
C1—H1A0.9300C27—C281.369 (5)
C2—C31.373 (5)C27—H270.9300
C2—H2A0.9300C28—C291.373 (5)
C3—C41.375 (5)C28—H280.9300
C3—H3A0.9300C29—C301.490 (5)
C4—C51.380 (5)C30—C311.491 (5)
C4—H40.9300C31—C361.382 (5)
C5—C61.470 (5)C31—C321.391 (5)
C6—C71.490 (5)C32—C331.389 (5)
C7—C81.384 (5)C32—H320.9300
C7—C121.387 (5)C33—C341.368 (6)
C8—C91.373 (6)C33—H330.9300
C8—H80.9300C34—C351.374 (6)
C9—C101.366 (6)C34—H340.9300
C9—H90.9300C35—C361.387 (5)
C10—C111.362 (6)C35—H350.9300
C10—H100.9300C36—H360.9300
N3—Cd1—N186.23 (10)C11—C12—C7119.5 (4)
N3—Cd1—N5172.80 (12)C11—C12—H12120.2
N1—Cd1—N588.33 (10)C7—C12—H12120.2
N3—Cd1—N6117.48 (10)N3—C13—C14124.2 (4)
N1—Cd1—N6156.28 (10)N3—C13—H13117.9
N5—Cd1—N668.00 (11)C14—C13—H13117.9
N3—Cd1—N469.06 (11)C15—C14—C13118.0 (4)
N1—Cd1—N4110.42 (11)C15—C14—H14121.0
N5—Cd1—N4108.62 (11)C13—C14—H14121.0
N6—Cd1—N480.07 (11)C14—C15—C16119.2 (4)
N3—Cd1—N289.14 (10)C14—C15—H15120.4
N1—Cd1—N268.22 (12)C16—C15—H15120.4
N5—Cd1—N293.23 (10)C15—C16—C17119.7 (4)
N6—Cd1—N2110.04 (11)C15—C16—H16120.2
N4—Cd1—N2158.13 (10)C17—C16—H16120.2
C1—N1—C5118.6 (3)N3—C17—C16121.0 (3)
C1—N1—Cd1122.8 (3)N3—C17—C18117.3 (3)
C5—N1—Cd1117.9 (3)C16—C17—C18121.6 (3)
C6—N2—O1113.9 (3)N4—C18—C17115.1 (3)
C6—N2—Cd1119.3 (3)N4—C18—C19124.6 (3)
O1—N2—Cd1126.3 (2)C17—C18—C19120.2 (3)
C13—N3—C17117.8 (3)C24—C19—C20119.3 (4)
C13—N3—Cd1125.2 (3)C24—C19—C18121.3 (4)
C17—N3—Cd1116.9 (2)C20—C19—C18119.4 (4)
C18—N4—O2114.0 (3)C21—C20—C19119.8 (4)
C18—N4—Cd1115.8 (2)C21—C20—H20120.1
O2—N4—Cd1123.5 (2)C19—C20—H20120.1
C25—N5—C29117.2 (3)C22—C21—C20121.1 (5)
C25—N5—Cd1124.3 (3)C22—C21—H21119.5
C29—N5—Cd1118.5 (2)C20—C21—H21119.5
C30—N6—O3114.2 (3)C21—C22—C23118.9 (5)
C30—N6—Cd1119.8 (3)C21—C22—H22120.6
O3—N6—Cd1123.4 (2)C23—C22—H22120.6
O5—N7—O4122.9 (5)C22—C23—C24121.2 (5)
O5—N7—O6120.6 (5)C22—C23—H23119.4
O4—N7—O6116.5 (5)C24—C23—H23119.4
O9—N8—O8126.6 (6)C19—C24—C23119.6 (5)
O9—N8—O7120.3 (6)C19—C24—H24120.2
O8—N8—O7112.9 (5)C23—C24—H24120.2
N2—O1—H1109.5N5—C25—C26124.1 (4)
N4—O2—H2109.5N5—C25—H25118.0
N6—O3—H3109.5C26—C25—H25118.0
N1—C1—C2123.3 (4)C27—C26—C25117.6 (4)
N1—C1—H1A118.4C27—C26—H26121.2
C2—C1—H1A118.4C25—C26—H26121.2
C3—C2—C1117.8 (4)C26—C27—C28120.1 (4)
C3—C2—H2A121.1C26—C27—H27120.0
C1—C2—H2A121.1C28—C27—H27120.0
C2—C3—C4119.5 (4)C27—C28—C29119.3 (4)
C2—C3—H3A120.2C27—C28—H28120.4
C4—C3—H3A120.2C29—C28—H28120.4
C3—C4—C5119.7 (4)N5—C29—C28121.8 (3)
C3—C4—H4120.1N5—C29—C30116.0 (3)
C5—C4—H4120.1C28—C29—C30122.2 (3)
N1—C5—C4121.0 (4)N6—C30—C29115.6 (3)
N1—C5—C6116.9 (3)N6—C30—C31125.1 (3)
C4—C5—C6122.0 (3)C29—C30—C31119.2 (3)
N2—C6—C5116.2 (3)C36—C31—C32120.0 (4)
N2—C6—C7123.9 (4)C36—C31—C30119.9 (4)
C5—C6—C7119.6 (3)C32—C31—C30120.0 (4)
C8—C7—C12119.5 (4)C33—C32—C31119.3 (4)
C8—C7—C6121.3 (4)C33—C32—H32120.4
C12—C7—C6119.2 (4)C31—C32—H32120.4
C9—C8—C7119.6 (4)C34—C33—C32120.5 (4)
C9—C8—H8120.2C34—C33—H33119.8
C7—C8—H8120.2C32—C33—H33119.8
C10—C9—C8120.9 (5)C33—C34—C35120.3 (4)
C10—C9—H9119.5C33—C34—H34119.8
C8—C9—H9119.5C35—C34—H34119.8
C11—C10—C9119.8 (5)C34—C35—C36120.1 (5)
C11—C10—H10120.1C34—C35—H35119.9
C9—C10—H10120.1C36—C35—H35119.9
C10—C11—C12120.6 (5)C31—C36—C35119.8 (4)
C10—C11—H11119.7C31—C36—H36120.1
C12—C11—H11119.7C35—C36—H36120.1
N3—Cd1—N1—C190.4 (3)N2—C6—C7—C8−69.3 (5)
N5—Cd1—N1—C1−84.8 (3)C5—C6—C7—C8116.4 (4)
N6—Cd1—N1—C1−88.5 (4)N2—C6—C7—C12110.8 (5)
N4—Cd1—N1—C124.4 (3)C5—C6—C7—C12−63.5 (5)
N2—Cd1—N1—C1−179.0 (3)C12—C7—C8—C9−0.3 (7)
N3—Cd1—N1—C5−99.7 (3)C6—C7—C8—C9179.8 (4)
N5—Cd1—N1—C585.0 (3)C7—C8—C9—C100.2 (8)
N6—Cd1—N1—C581.4 (4)C8—C9—C10—C11−0.6 (9)
N4—Cd1—N1—C5−165.7 (2)C9—C10—C11—C121.1 (8)
N2—Cd1—N1—C5−9.1 (2)C10—C11—C12—C7−1.1 (7)
N3—Cd1—N2—C689.4 (3)C8—C7—C12—C110.7 (6)
N1—Cd1—N2—C63.1 (3)C6—C7—C12—C11−179.4 (4)
N5—Cd1—N2—C6−83.8 (3)C17—N3—C13—C14−1.2 (7)
N6—Cd1—N2—C6−151.5 (3)Cd1—N3—C13—C14−176.6 (3)
N4—Cd1—N2—C693.9 (4)N3—C13—C14—C15−0.7 (7)
N3—Cd1—N2—O1−81.9 (3)C13—C14—C15—C161.3 (7)
N1—Cd1—N2—O1−168.2 (3)C14—C15—C16—C17−0.1 (6)
N5—Cd1—N2—O1104.9 (3)C13—N3—C17—C162.4 (6)
N6—Cd1—N2—O137.2 (3)Cd1—N3—C17—C16178.2 (3)
N4—Cd1—N2—O1−77.4 (4)C13—N3—C17—C18−176.4 (4)
N1—Cd1—N3—C1352.5 (3)Cd1—N3—C17—C18−0.6 (4)
N6—Cd1—N3—C13−128.0 (3)C15—C16—C17—N3−1.8 (6)
N4—Cd1—N3—C13166.1 (4)C15—C16—C17—C18177.0 (4)
N2—Cd1—N3—C13−15.7 (3)O2—N4—C18—C17179.7 (3)
N1—Cd1—N3—C17−122.9 (3)Cd1—N4—C18—C17−27.8 (4)
N6—Cd1—N3—C1756.6 (3)O2—N4—C18—C191.9 (5)
N4—Cd1—N3—C17−9.3 (3)Cd1—N4—C18—C19154.4 (3)
N2—Cd1—N3—C17168.9 (3)N3—C17—C18—N419.4 (5)
N3—Cd1—N4—C1820.4 (3)C16—C17—C18—N4−159.4 (4)
N1—Cd1—N4—C1897.8 (3)N3—C17—C18—C19−162.7 (3)
N5—Cd1—N4—C18−166.9 (3)C16—C17—C18—C1918.5 (6)
N6—Cd1—N4—C18−104.3 (3)N4—C18—C19—C2458.9 (6)
N2—Cd1—N4—C1815.6 (5)C17—C18—C19—C24−118.8 (4)
N3—Cd1—N4—O2170.0 (3)N4—C18—C19—C20−120.5 (4)
N1—Cd1—N4—O2−112.6 (3)C17—C18—C19—C2061.8 (5)
N5—Cd1—N4—O2−17.3 (3)C24—C19—C20—C21−1.3 (6)
N6—Cd1—N4—O245.3 (3)C18—C19—C20—C21178.1 (4)
N2—Cd1—N4—O2165.2 (3)C19—C20—C21—C22−0.5 (7)
N1—Cd1—N5—C25−4.0 (3)C20—C21—C22—C231.5 (8)
N6—Cd1—N5—C25174.4 (3)C21—C22—C23—C24−0.7 (8)
N4—Cd1—N5—C25−115.1 (3)C20—C19—C24—C232.1 (6)
N2—Cd1—N5—C2564.0 (3)C18—C19—C24—C23−177.3 (4)
N1—Cd1—N5—C29174.6 (3)C22—C23—C24—C19−1.1 (7)
N6—Cd1—N5—C29−7.0 (3)C29—N5—C25—C261.7 (6)
N4—Cd1—N5—C2963.5 (3)Cd1—N5—C25—C26−179.7 (3)
N2—Cd1—N5—C29−117.4 (3)N5—C25—C26—C27−1.4 (7)
N3—Cd1—N6—C30−161.7 (3)C25—C26—C27—C280.8 (6)
N1—Cd1—N6—C3017.1 (5)C26—C27—C28—C29−0.6 (6)
N5—Cd1—N6—C3013.1 (3)C25—N5—C29—C28−1.4 (5)
N4—Cd1—N6—C30−101.7 (3)Cd1—N5—C29—C28179.9 (3)
N2—Cd1—N6—C3098.4 (3)C25—N5—C29—C30−179.4 (3)
N3—Cd1—N6—O3−1.1 (3)Cd1—N5—C29—C301.9 (4)
N1—Cd1—N6—O3177.7 (3)C27—C28—C29—N51.0 (6)
N5—Cd1—N6—O3173.7 (3)C27—C28—C29—C30178.8 (4)
N4—Cd1—N6—O358.9 (3)O3—N6—C30—C29−179.0 (3)
N2—Cd1—N6—O3−101.0 (3)Cd1—N6—C30—C29−16.7 (4)
C5—N1—C1—C2−1.3 (6)O3—N6—C30—C312.5 (5)
Cd1—N1—C1—C2168.5 (3)Cd1—N6—C30—C31164.8 (3)
N1—C1—C2—C3−1.7 (6)N5—C29—C30—N69.7 (5)
C1—C2—C3—C42.7 (6)C28—C29—C30—N6−168.2 (4)
C2—C3—C4—C5−0.8 (6)N5—C29—C30—C31−171.7 (3)
C1—N1—C5—C43.4 (5)C28—C29—C30—C3110.4 (5)
Cd1—N1—C5—C4−167.0 (3)N6—C30—C31—C3661.6 (5)
C1—N1—C5—C6−175.6 (3)C29—C30—C31—C36−116.9 (4)
Cd1—N1—C5—C614.1 (4)N6—C30—C31—C32−121.4 (4)
C3—C4—C5—N1−2.3 (6)C29—C30—C31—C3260.1 (5)
C3—C4—C5—C6176.5 (4)C36—C31—C32—C33−0.1 (6)
O1—N2—C6—C5175.1 (3)C30—C31—C32—C33−177.1 (4)
Cd1—N2—C6—C52.7 (4)C31—C32—C33—C341.6 (7)
O1—N2—C6—C70.6 (5)C32—C33—C34—C35−1.7 (7)
Cd1—N2—C6—C7−171.7 (3)C33—C34—C35—C360.4 (8)
N1—C5—C6—N2−11.1 (5)C32—C31—C36—C35−1.2 (6)
C4—C5—C6—N2170.0 (4)C30—C31—C36—C35175.8 (4)
N1—C5—C6—C7163.6 (3)C34—C35—C36—C311.0 (7)
C4—C5—C6—C7−15.3 (5)
D—H···AD—HH···AD···AD—H···A
C32—H32···O80.932.483.355 (6)157
C27—H27···O9i0.932.583.191 (6)123
C14—H14···O5ii0.932.493.261 (6)141
C4—H4···O3iii0.932.423.285 (5)155
C3—H3A···O2iii0.932.563.461 (5)164
O3—H3···O60.822.342.892 (4)126
O3—H3···O40.822.002.820 (5)176
O2—H2···O80.822.042.800 (5)154
O2—H2···O70.822.212.939 (6)149
O1—H1···O60.821.812.585 (4)158
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
C32—H32⋯O80.932.483.355 (6)157
C27—H27⋯O9i0.932.583.191 (6)123
C14—H14⋯O5ii0.932.493.261 (6)141
C4—H4⋯O3iii0.932.423.285 (5)155
C3—H3A⋯O2iii0.932.563.461 (5)164
O3—H3⋯O60.822.342.892 (4)126
O3—H3⋯O40.822.002.820 (5)176
O2—H2⋯O80.822.042.800 (5)154
O2—H2⋯O70.822.212.939 (6)149
O1—H1⋯O60.821.812.585 (4)158

Symmetry codes: (i) ; (ii) ; (iii) .

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1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290
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1.  Trichloridotris{N-[phen-yl(pyridin-2-yl)-methyl-idene]hydroxyl-amine-κN,N'}samarium(III).

Authors:  Tao Lei; Wenqian Chen; Yanmei Chen; Bin Hu; Yahong Li
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-02-29

2.  Modeling the Solvent Extraction of Cadmium(II) from Aqueous Chloride Solutions by 2-pyridyl Ketoximes: A Coordination Chemistry Approach.

Authors:  Eleni C Mazarakioti; Amaia Soto Beobide; Varvara Angelidou; Constantinos G Efthymiou; Aris Terzis; Vassilis Psycharis; George A Voyiatzis; Spyros P Perlepes
Journal:  Molecules       Date:  2019-06-13       Impact factor: 4.411
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