Literature DB >> 22807743

catena-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}-κ⁴N,N',N'',N''')mercury(II)]-μ-chlorido-[dichloridomercury(II)]-μ-chlorido].

Mehmet Akkurt1, Ali Akbar Khandar, Muhammad Nawaz Tahir, Seyed Abolfazl Hosseini-Yazdi, Ghodrat Mahmoudi.   

Abstract

In the title coordination polymer, [Hg₄Cl₄(C₂₆H₂₀N₆)](n), one Hg(II) ion is coordinated by four N atoms from the benzylbis((pyridin-2-yl)methyl-idenehydrazone) ligand and two Cl⁻ ions in a very distorted cis-HgCl₂N₄ octa-hedral geometry. The other Hg(II) ion is coordinated in a distorted tetra-hedral geometry by four Cl⁻ ions. Bridging chloride ions link the Hg(II) ions into a chain propagating in [010]: the Hg-Cl bridging bonds are significantly longer than the terminal bonds. The dihedral angle between the central benzene rings of the ligand is 83.3 (2)°. The packing is consolidated by weak C-H⋯Cl hydrogen bonds and C-H⋯π inter-actions.

Entities:  

Year:  2012        PMID: 22807743      PMCID: PMC3393175          DOI: 10.1107/S1600536812025718

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


Related literature

For background to polyimine ligands, see: Bai et al. (2005 ▶); Chowdhury et al. (2003 ▶); Drew et al. (2006 ▶); Pal et al. (2000 ▶); Sun et al. (2006 ▶).

Experimental

Crystal data

[HgCl4(C26H20N6)] M = 959.46 Monoclinic, a = 8.8560 (2) Å b = 13.8093 (4) Å c = 23.6960 (7) Å β = 96.702 (1)° V = 2878.10 (14) Å3 Z = 4 Mo Kα radiation μ = 11.06 mm−1 T = 296 K 0.36 × 0.18 × 0.16 mm

Data collection

Bruker Kappa APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.106, T max = 0.171 26994 measured reflections 7066 independent reflections 5295 reflections with I > 2σ(I) R int = 0.035

Refinement

R[F 2 > 2σ(F 2)] = 0.026 wR(F 2) = 0.049 S = 1.02 7066 reflections 343 parameters H-atom parameters constrained Δρmax = 0.85 e Å−3 Δρmin = −0.85 e Å−3 Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶) and PLATON. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812025718/hb6787sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812025718/hb6787Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[HgCl4(C26H20N6)]F(000) = 1784
Mr = 959.46Dx = 2.214 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 700 reflections
a = 8.8560 (2) Åθ = 3.5–20.5°
b = 13.8093 (4) ŵ = 11.06 mm1
c = 23.6960 (7) ÅT = 296 K
β = 96.702 (1)°Prism, green
V = 2878.10 (14) Å30.36 × 0.18 × 0.16 mm
Z = 4
Bruker Kappa APEXII CCD diffractometer7066 independent reflections
Radiation source: fine-focus sealed tube5295 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
ω scansθmax = 28.3°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2005)h = −11→11
Tmin = 0.106, Tmax = 0.171k = −18→18
26994 measured reflectionsl = −31→31
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) = 0.049H-atom parameters constrained
S = 1.02w = 1/[σ2(Fo2) + (0.0162P)2 + 0.1878P] where P = (Fo2 + 2Fc2)/3
7066 reflections(Δ/σ)max = 0.002
343 parametersΔρmax = 0.85 e Å3
0 restraintsΔρmin = −0.85 e Å3
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles
Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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
Hg10.62651 (2)0.77072 (1)0.34093 (1)0.0365 (1)
Hg20.40107 (2)1.03230 (1)0.29193 (1)0.0478 (1)
Cl10.68420 (11)0.94448 (7)0.31308 (5)0.0508 (4)
Cl20.47008 (11)0.68234 (8)0.25964 (5)0.0501 (3)
Cl30.37878 (15)1.09629 (9)0.38169 (5)0.0692 (5)
Cl40.29001 (14)0.94051 (8)0.21557 (5)0.0598 (4)
N10.7872 (3)0.8179 (2)0.47703 (13)0.0386 (11)
N20.6483 (4)0.8111 (2)0.44313 (12)0.0361 (10)
N30.3796 (3)0.8157 (2)0.37525 (13)0.0376 (11)
N40.7524 (3)0.5949 (2)0.44393 (12)0.0382 (11)
N50.7914 (4)0.6422 (2)0.39605 (12)0.0370 (10)
N60.8447 (3)0.7191 (2)0.29480 (13)0.0395 (11)
C10.9891 (4)0.7451 (3)0.53615 (14)0.0346 (11)
C21.0814 (4)0.6645 (3)0.54636 (16)0.0443 (14)
C31.2180 (5)0.6703 (4)0.58042 (18)0.0551 (17)
C41.2655 (5)0.7574 (4)0.60399 (18)0.0572 (18)
C51.1760 (5)0.8389 (3)0.59423 (16)0.0518 (16)
C61.0372 (4)0.8329 (3)0.56081 (15)0.0431 (14)
C70.8431 (4)0.7388 (3)0.49870 (14)0.0316 (11)
C80.7681 (4)0.6415 (3)0.49102 (15)0.0331 (11)
C90.7156 (4)0.5941 (3)0.54105 (15)0.0351 (12)
C100.6896 (5)0.4958 (3)0.54188 (18)0.0520 (17)
C110.6362 (5)0.4532 (3)0.5883 (2)0.0650 (19)
C120.6057 (5)0.5077 (4)0.6335 (2)0.0641 (19)
C130.6267 (5)0.6055 (4)0.63283 (17)0.0541 (18)
C140.6849 (4)0.6493 (3)0.58726 (16)0.0436 (14)
C150.5333 (5)0.8437 (3)0.46300 (16)0.0450 (16)
C160.3852 (4)0.8468 (3)0.42897 (15)0.0392 (12)
C170.2613 (5)0.8829 (3)0.45179 (19)0.0579 (17)
C180.1243 (5)0.8889 (3)0.4169 (2)0.0631 (19)
C190.1184 (5)0.8602 (3)0.3623 (2)0.0598 (19)
C200.2472 (5)0.8220 (3)0.34252 (18)0.0502 (17)
C210.8909 (4)0.6034 (3)0.36920 (16)0.0417 (12)
C220.9269 (4)0.6436 (3)0.31518 (15)0.0362 (12)
C231.0385 (4)0.6025 (3)0.28678 (18)0.0510 (16)
C241.0661 (5)0.6424 (4)0.23574 (19)0.0589 (19)
C250.9829 (5)0.7200 (3)0.21479 (18)0.0569 (18)
C260.8728 (5)0.7570 (3)0.24518 (17)0.0516 (16)
H21.050600.605500.529900.0530*
H31.278000.615300.587400.0660*
H41.358400.761600.626600.0690*
H51.208900.897900.610100.0620*
H60.976100.887600.554900.0520*
H100.708000.457900.511000.0620*
H110.621000.386600.588800.0780*
H120.570500.478300.664800.0770*
H130.601900.643000.663000.0650*
H140.703300.715600.587700.0520*
H150.542700.866400.500200.0540*
H170.268800.902800.489500.0690*
H180.037700.912400.431000.0750*
H190.028400.866100.338000.0720*
H200.240800.800000.305200.0600*
H210.942000.548500.384000.0500*
H231.093600.549300.301800.0610*
H241.141000.616600.215700.0710*
H251.000200.747600.180300.0690*
H260.816200.810000.230700.0620*
U11U22U33U12U13U23
Hg10.0406 (1)0.0377 (1)0.0319 (1)0.0028 (1)0.0073 (1)−0.0034 (1)
Hg20.0651 (1)0.0414 (1)0.0374 (1)0.0024 (1)0.0082 (1)−0.0028 (1)
Cl10.0480 (6)0.0347 (6)0.0703 (7)−0.0031 (5)0.0096 (5)0.0021 (5)
Cl20.0486 (6)0.0474 (6)0.0531 (6)0.0031 (5)0.0014 (5)−0.0196 (5)
Cl30.1034 (10)0.0603 (8)0.0489 (7)−0.0135 (7)0.0297 (7)−0.0188 (6)
Cl40.0793 (8)0.0545 (7)0.0430 (6)−0.0037 (6)−0.0032 (6)−0.0048 (5)
N10.0452 (19)0.037 (2)0.0329 (17)−0.0006 (16)0.0013 (15)−0.0003 (15)
N20.0432 (19)0.0331 (18)0.0310 (17)0.0027 (15)0.0001 (15)−0.0007 (14)
N30.0425 (19)0.0355 (19)0.0342 (18)−0.0027 (15)0.0019 (15)0.0019 (14)
N40.0486 (19)0.0345 (19)0.0313 (17)−0.0030 (15)0.0041 (15)−0.0012 (14)
N50.0472 (19)0.0383 (19)0.0258 (16)−0.0045 (15)0.0051 (14)−0.0060 (14)
N60.0398 (18)0.047 (2)0.0325 (17)0.0084 (16)0.0071 (14)−0.0015 (15)
C10.040 (2)0.042 (2)0.0216 (18)−0.0065 (18)0.0033 (16)0.0001 (16)
C20.044 (2)0.047 (3)0.040 (2)−0.004 (2)−0.0032 (19)−0.0044 (19)
C30.044 (3)0.064 (3)0.055 (3)0.001 (2)−0.004 (2)−0.002 (2)
C40.052 (3)0.081 (4)0.037 (2)−0.015 (3)−0.002 (2)0.001 (2)
C50.065 (3)0.057 (3)0.034 (2)−0.029 (2)0.009 (2)−0.011 (2)
C60.048 (2)0.046 (3)0.035 (2)−0.008 (2)0.0037 (19)−0.0015 (19)
C70.0364 (19)0.032 (2)0.0267 (18)−0.0028 (17)0.0056 (16)0.0003 (16)
C80.0323 (19)0.032 (2)0.034 (2)0.0006 (16)0.0002 (16)0.0004 (17)
C90.034 (2)0.036 (2)0.035 (2)−0.0006 (17)0.0023 (16)0.0039 (17)
C100.069 (3)0.042 (3)0.047 (3)−0.005 (2)0.015 (2)0.003 (2)
C110.072 (3)0.047 (3)0.079 (4)−0.005 (2)0.021 (3)0.022 (3)
C120.056 (3)0.088 (4)0.050 (3)−0.001 (3)0.013 (2)0.031 (3)
C130.048 (3)0.081 (4)0.035 (2)0.001 (2)0.012 (2)0.005 (2)
C140.045 (2)0.047 (3)0.039 (2)−0.0078 (19)0.0054 (19)−0.0036 (19)
C150.058 (3)0.047 (3)0.031 (2)0.005 (2)0.009 (2)−0.0040 (19)
C160.045 (2)0.045 (2)0.029 (2)−0.0008 (19)0.0098 (18)0.0050 (18)
C170.054 (3)0.076 (3)0.048 (3)0.004 (2)0.024 (2)0.003 (2)
C180.045 (3)0.065 (3)0.083 (4)−0.002 (2)0.023 (3)0.004 (3)
C190.041 (3)0.052 (3)0.083 (4)−0.010 (2)−0.007 (3)0.004 (3)
C200.057 (3)0.040 (3)0.052 (3)−0.011 (2)0.000 (2)−0.001 (2)
C210.045 (2)0.039 (2)0.040 (2)0.0019 (19)0.0000 (19)0.0002 (19)
C220.035 (2)0.038 (2)0.035 (2)−0.0014 (17)0.0018 (17)−0.0053 (17)
C230.042 (2)0.058 (3)0.054 (3)0.016 (2)0.010 (2)−0.001 (2)
C240.048 (3)0.078 (4)0.054 (3)0.005 (2)0.020 (2)−0.012 (3)
C250.061 (3)0.077 (4)0.035 (2)0.005 (3)0.015 (2)0.001 (2)
C260.053 (3)0.067 (3)0.035 (2)0.009 (2)0.006 (2)0.005 (2)
Hg1—Cl12.5560 (10)C12—C131.364 (8)
Hg1—Cl22.5488 (11)C13—C141.388 (6)
Hg1—N22.471 (3)C15—C161.458 (6)
Hg1—N32.499 (3)C16—C171.372 (6)
Hg1—N52.558 (3)C17—C181.389 (6)
Hg1—N62.435 (3)C18—C191.348 (7)
Hg2—Cl12.7777 (10)C19—C201.387 (6)
Hg2—Cl32.3328 (12)C21—C221.464 (5)
Hg2—Cl42.3308 (12)C22—C231.381 (5)
Hg2—Cl2i2.7227 (11)C23—C241.377 (6)
N1—N21.392 (4)C24—C251.361 (7)
N1—C71.282 (5)C25—C261.376 (6)
N2—C151.254 (5)C2—H20.9300
N3—C161.339 (5)C3—H30.9300
N3—C201.331 (5)C4—H40.9300
N4—N51.387 (4)C5—H50.9300
N4—C81.282 (5)C6—H60.9300
N5—C211.265 (5)C10—H100.9300
N6—C221.330 (5)C11—H110.9300
N6—C261.337 (5)C12—H120.9300
C1—C21.385 (6)C13—H130.9300
C1—C61.391 (6)C14—H140.9300
C1—C71.483 (5)C15—H150.9300
C2—C31.376 (6)C17—H170.9300
C3—C41.371 (7)C18—H180.9300
C4—C51.380 (7)C19—H190.9300
C5—C61.385 (6)C20—H200.9300
C7—C81.501 (6)C21—H210.9300
C8—C91.476 (5)C23—H230.9300
C9—C101.377 (6)C24—H240.9300
C9—C141.387 (5)C25—H250.9300
C10—C111.379 (6)C26—H260.9300
C11—C121.362 (7)
Cl1—Hg1—Cl2111.21 (4)C9—C14—C13120.0 (4)
Cl1—Hg1—N292.64 (7)N2—C15—C16121.4 (3)
Cl1—Hg1—N393.41 (7)N3—C16—C15116.6 (3)
Cl1—Hg1—N5131.59 (8)N3—C16—C17123.3 (3)
Cl1—Hg1—N688.05 (7)C15—C16—C17120.1 (4)
Cl2—Hg1—N2145.31 (8)C16—C17—C18118.1 (4)
Cl2—Hg1—N386.90 (7)C17—C18—C19119.2 (4)
Cl2—Hg1—N5106.34 (7)C18—C19—C20119.7 (4)
Cl2—Hg1—N684.86 (7)N3—C20—C19122.1 (4)
N2—Hg1—N366.18 (11)N5—C21—C22121.0 (4)
N2—Hg1—N571.43 (9)N6—C22—C21116.7 (3)
N2—Hg1—N6122.06 (11)N6—C22—C23122.5 (3)
N3—Hg1—N5118.39 (10)C21—C22—C23120.8 (4)
N3—Hg1—N6171.59 (10)C22—C23—C24118.3 (4)
N5—Hg1—N665.83 (10)C23—C24—C25119.4 (4)
Cl1—Hg2—Cl399.87 (4)C24—C25—C26119.2 (4)
Cl1—Hg2—Cl4101.12 (4)N6—C26—C25122.1 (4)
Cl1—Hg2—Cl2i89.80 (3)C1—C2—H2119.00
Cl3—Hg2—Cl4147.23 (5)C3—C2—H2119.00
Cl2i—Hg2—Cl3101.86 (4)C2—C3—H3120.00
Cl2i—Hg2—Cl4103.09 (4)C4—C3—H3120.00
Hg1—Cl1—Hg2104.66 (3)C3—C4—H4120.00
Hg1—Cl2—Hg2ii118.96 (4)C5—C4—H4120.00
N2—N1—C7116.6 (3)C4—C5—H5120.00
Hg1—N2—N1122.9 (2)C6—C5—H5120.00
Hg1—N2—C15118.4 (3)C1—C6—H6120.00
N1—N2—C15117.4 (3)C5—C6—H6120.00
Hg1—N3—C16116.9 (2)C9—C10—H10120.00
Hg1—N3—C20124.9 (3)C11—C10—H10120.00
C16—N3—C20117.7 (3)C10—C11—H11120.00
N5—N4—C8117.6 (3)C12—C11—H11120.00
Hg1—N5—N4124.2 (2)C11—C12—H12120.00
Hg1—N5—C21115.3 (2)C13—C12—H12120.00
N4—N5—C21117.8 (3)C12—C13—H13120.00
Hg1—N6—C22119.7 (2)C14—C13—H13120.00
Hg1—N6—C26121.3 (2)C9—C14—H14120.00
C22—N6—C26118.4 (3)C13—C14—H14120.00
C2—C1—C6118.8 (3)N2—C15—H15119.00
C2—C1—C7120.9 (4)C16—C15—H15119.00
C6—C1—C7120.4 (4)C16—C17—H17121.00
C1—C2—C3121.1 (4)C18—C17—H17121.00
C2—C3—C4119.8 (5)C17—C18—H18120.00
C3—C4—C5120.3 (4)C19—C18—H18120.00
C4—C5—C6120.1 (4)C18—C19—H19120.00
C1—C6—C5120.0 (4)C20—C19—H19120.00
N1—C7—C1117.3 (3)N3—C20—H20119.00
N1—C7—C8124.7 (3)C19—C20—H20119.00
C1—C7—C8117.9 (3)N5—C21—H21120.00
N4—C8—C7123.8 (3)C22—C21—H21120.00
N4—C8—C9117.7 (3)C22—C23—H23121.00
C7—C8—C9118.4 (3)C24—C23—H23121.00
C8—C9—C10121.2 (4)C23—C24—H24120.00
C8—C9—C14120.0 (4)C25—C24—H24120.00
C10—C9—C14118.8 (4)C24—C25—H25120.00
C9—C10—C11120.4 (4)C26—C25—H25120.00
C10—C11—C12120.6 (4)N6—C26—H26119.00
C11—C12—C13119.9 (4)C25—C26—H26119.00
C12—C13—C14120.3 (4)
Cl2—Hg1—Cl1—Hg262.36 (4)C16—N3—C20—C190.7 (6)
N2—Hg1—Cl1—Hg2−91.91 (9)Hg1—N3—C16—C17173.4 (3)
N3—Hg1—Cl1—Hg2−25.64 (8)C20—N3—C16—C171.2 (6)
N5—Hg1—Cl1—Hg2−159.25 (9)C20—N3—C16—C15−177.0 (4)
N6—Hg1—Cl1—Hg2146.07 (8)Hg1—N3—C20—C19−170.8 (3)
N3—Hg1—N2—N1−173.7 (3)N5—N4—C8—C7−7.7 (5)
N5—Hg1—N2—N152.1 (2)C8—N4—N5—C21122.7 (4)
Cl1—Hg1—N5—N4125.2 (2)N5—N4—C8—C9175.4 (3)
Cl1—Hg1—Cl2—Hg2ii112.83 (5)C8—N4—N5—Hg1−76.8 (4)
N2—Hg1—Cl2—Hg2ii−116.81 (13)Hg1—N5—C21—C2211.5 (5)
N3—Hg1—Cl2—Hg2ii−154.71 (8)N4—N5—C21—C22173.7 (3)
N5—Hg1—Cl2—Hg2ii−36.01 (9)Hg1—N6—C22—C21−7.5 (4)
N6—Hg1—Cl2—Hg2ii26.94 (8)C22—N6—C26—C250.4 (6)
Cl2—Hg1—N5—C2165.9 (3)C26—N6—C22—C23−0.7 (5)
N2—Hg1—N5—C21−150.4 (3)Hg1—N6—C26—C25−171.1 (3)
N3—Hg1—N5—C21161.3 (3)C26—N6—C22—C21−179.1 (3)
N6—Hg1—N5—C21−10.5 (3)Hg1—N6—C22—C23170.9 (3)
Cl1—Hg1—N6—C22147.2 (3)C7—C1—C6—C5−177.9 (3)
Cl1—Hg1—N2—N1−81.1 (2)C7—C1—C2—C3179.1 (4)
Cl2—Hg1—N2—N1144.20 (19)C2—C1—C7—N1−158.9 (3)
N5—Hg1—N3—C20−132.0 (3)C6—C1—C7—C8−157.5 (3)
N5—Hg1—N6—C229.2 (3)C6—C1—C7—N119.8 (5)
N6—Hg1—N2—N18.2 (3)C6—C1—C2—C30.3 (6)
Cl1—Hg1—N2—C1585.7 (3)C2—C1—C7—C823.8 (5)
Cl2—Hg1—N2—C15−49.0 (3)C2—C1—C6—C50.9 (5)
N3—Hg1—N2—C15−6.9 (3)C1—C2—C3—C4−1.1 (6)
N5—Hg1—N2—C15−141.1 (3)C2—C3—C4—C50.8 (6)
N6—Hg1—N2—C15175.0 (3)C3—C4—C5—C60.4 (6)
Cl1—Hg1—N3—C16−85.6 (3)C4—C5—C6—C1−1.2 (6)
Cl2—Hg1—N3—C16163.4 (3)N1—C7—C8—C9−113.3 (4)
N2—Hg1—N3—C165.8 (2)C1—C7—C8—C963.8 (4)
N5—Hg1—N3—C1656.5 (3)C1—C7—C8—N4−113.1 (4)
Cl1—Hg1—N3—C2086.0 (3)N1—C7—C8—N469.8 (5)
Cl2—Hg1—N3—C20−25.1 (3)N4—C8—C9—C14−159.8 (3)
N2—Hg1—N3—C20177.4 (3)C7—C8—C9—C1423.0 (5)
N2—Hg1—N6—C2255.3 (3)N4—C8—C9—C1017.2 (5)
Cl1—Hg1—N5—C21−73.9 (3)C7—C8—C9—C10−159.9 (4)
Cl1—Hg1—N6—C26−41.4 (3)C10—C9—C14—C13−1.0 (6)
Cl2—Hg1—N6—C2670.1 (3)C8—C9—C14—C13176.1 (4)
Cl2—Hg1—N5—N4−95.0 (2)C8—C9—C10—C11−178.0 (4)
N2—Hg1—N5—N448.7 (2)C14—C9—C10—C11−1.0 (6)
N3—Hg1—N5—N40.4 (3)C9—C10—C11—C121.2 (7)
N6—Hg1—N5—N4−171.5 (3)C10—C11—C12—C130.6 (7)
Cl2—Hg1—N6—C22−101.3 (3)C11—C12—C13—C14−2.6 (7)
N2—Hg1—N6—C26−133.3 (3)C12—C13—C14—C92.9 (6)
N5—Hg1—N6—C26−179.5 (3)N2—C15—C16—C17−180.0 (4)
Cl4—Hg2—Cl1—Hg1−62.53 (5)N2—C15—C16—N3−1.8 (6)
Cl1ii—Hg2ii—Cl2—Hg1148.59 (5)N3—C16—C17—C18−1.2 (6)
Cl3ii—Hg2ii—Cl2—Hg1−111.36 (5)C15—C16—C17—C18176.8 (4)
Cl4ii—Hg2ii—Cl2—Hg147.22 (6)C16—C17—C18—C19−0.6 (6)
Cl3—Hg2—Cl1—Hg192.17 (5)C17—C18—C19—C202.4 (6)
Cl2i—Hg2—Cl1—Hg1−165.83 (4)C18—C19—C20—N3−2.5 (6)
C7—N1—N2—Hg1−85.4 (3)N5—C21—C22—C23178.3 (4)
N2—N1—C7—C1−178.5 (3)N5—C21—C22—N6−3.3 (5)
C7—N1—N2—C15107.7 (4)C21—C22—C23—C24179.1 (4)
N2—N1—C7—C8−1.4 (5)N6—C22—C23—C240.8 (6)
N1—N2—C15—C16175.1 (3)C22—C23—C24—C25−0.4 (6)
Hg1—N2—C15—C167.5 (5)C23—C24—C25—C260.0 (7)
Hg1—N3—C16—C15−4.7 (4)C24—C25—C26—N60.0 (7)
D—H···AD—HH···AD···AD—H···A
C14—H14···Cl3iii0.932.823.647 (4)149
C25—H25···Cg5iv0.932.963.814 (5)153
Table 1

Selected bond lengths (Å)

Hg1—Cl12.5560 (10)
Hg1—Cl22.5488 (11)
Hg1—N22.471 (3)
Hg1—N32.499 (3)
Hg1—N52.558 (3)
Hg1—N62.435 (3)
Hg2—Cl12.7777 (10)
Hg2—Cl32.3328 (12)
Hg2—Cl42.3308 (12)
Hg2—Cl2i 2.7227 (11)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

Cg5 is the centroid of the C1–C6 phenyl ring.

D—H⋯A D—HH⋯A DA D—H⋯A
C14—H14⋯Cl3ii 0.932.823.647 (4)149
C25—H25⋯Cg5iii 0.932.963.814 (5)153

Symmetry codes: (ii) ; (iii) .

  4 in total

1.  Enantiomeric interpenetrating 3D nets with chiral silver helicates.

Authors:  Yan Bai; Chun-Ying Duan; Ping Cai; Dong-Bin Dang; Qing-Jin Meng
Journal:  Dalton Trans       Date:  2005-07-18       Impact factor: 4.390

2.  Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings.

Authors:  Qiaozhen Sun; Yan Bai; Guangjie He; Chunying Duan; Zhihua Lin; Qingjin Meng
Journal:  Chem Commun (Camb)       Date:  2006-07-14       Impact factor: 6.222

3.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

4.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  4 in total

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