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The title complex, [CdHg(NCS)4(C18H15P)2]n, contains slightly distorted trigonal bipyramidal CdN4S and tetrahedral HgP2S2. The CdII atom is coordinated by the N atoms of four thio­cyanate ions and the S atom of one thio­cyanate ion. The HgII atom is coordinated by two tri­phenyl­phosphine P atoms and two thio­cyanate S atoms. The two metal atoms, viz. CdII and HgII, are connected by an —S=C=N— bridge, forming an infinite three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680500468X/fl6146sup1.cif
Contains datablocks CMTTP, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680500468X/fl6146CMTTPsup2.hkl
Contains datablock CMTTP

CCDC reference: 269558

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.034
  • wR factor = 0.079
  • Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C2
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.32 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C19 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C33 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cd1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C23 -C28 1.37 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 49 S1 -C1 -N1 -CD1 -34.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 50 S2 -C2 -N2 -CD1 132.00 29.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 51 S4 -C4 -N4 -CD1 58.00 14.00 1.555 1.555 1.555 2.767 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 88 N1 -C1 -S1 -HG1 176.00100.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 89 N3 -C3 -S3 -CD1 139.00 14.00 2.766 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 90 N4 -C4 -S4 -HG1 178.00100.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 91 C2 -N2 -CD1 -N1 -87.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 92 C2 -N2 -CD1 -N4 -177.00 4.00 1.555 1.555 1.555 2.767 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 93 C2 -N2 -CD1 -N3 1.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 94 C2 -N2 -CD1 -S3 94.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 101 C3 -N3 -CD1 -N4 135.00 2.00 2.766 1.555 1.555 2.767
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 23 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 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: SHELXTL (Bruker, 1997); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[[bis(triphenylphosphine)mercury(II)]-µ-thiocyanato-cadmium(II)- tri-µ-thiocyanato] top
Crystal data top
[CdHg(NCS)4(C18H15P)2]Z = 2
Mr = 1069.85F(000) = 1040
Triclinic, P1Dx = 1.697 Mg m3
Hall symbol: -p 1Mo Kα radiation, λ = 0.71073 Å
a = 11.5181 (18) ÅCell parameters from 42 reflections
b = 13.8876 (15) Åθ = 4.6–12.5°
c = 13.9889 (10) ŵ = 4.48 mm1
α = 93.532 (7)°T = 293 K
β = 95.868 (9)°Prism, colourless
γ = 109.014 (9)°0.42 × 0.38 × 0.20 mm
V = 2093.7 (4) Å3
Data collection top
Bruker P4
diffractometer
6871 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.028
Graphite monochromatorθmax = 26.0°, θmin = 1.9°
ω scansh = 113
Absorption correction: ψ scan
(XSCANS; Siemens, 1996)
k = 1716
Tmin = 0.156, Tmax = 0.410l = 1717
9487 measured reflections3 standard reflections every 97 reflections
8195 independent reflections intensity decay: none
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034H-atom parameters constrained
wR(F2) = 0.079 w = 1/[σ2(Fo2) + (0.0368P)2 + 1.0625P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.001
8195 reflectionsΔρmax = 0.83 e Å3
470 parametersΔρmin = 0.54 e Å3
24 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0042 (2)
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
C10.9143 (5)0.4550 (4)0.8576 (4)0.0564 (12)
C21.0300 (6)0.8065 (5)0.6941 (5)0.0734 (15)
C31.1419 (5)0.4939 (4)0.4993 (4)0.0618 (13)
C40.6787 (5)0.2931 (4)1.1118 (4)0.0615 (13)
C50.8013 (5)0.1652 (4)0.7155 (4)0.0551 (12)
C60.7954 (7)0.2395 (5)0.6577 (4)0.0773 (17)
H6A0.73920.27350.66630.093*
C70.8714 (8)0.2647 (5)0.5870 (5)0.092 (2)
H7A0.86550.31500.54770.110*
C80.9559 (7)0.2162 (5)0.5739 (5)0.0873 (19)
H8A1.00810.23390.52660.105*
C90.9622 (7)0.1424 (6)0.6306 (5)0.091 (2)
H9A1.01890.10900.62180.110*
C100.8856 (6)0.1158 (5)0.7018 (5)0.0751 (16)
H10A0.89090.06470.74020.090*
C110.7594 (5)0.0717 (4)0.8971 (4)0.0577 (12)
C120.8424 (6)0.1355 (5)0.9731 (4)0.0733 (16)
H12A0.86570.20620.97300.088*
C130.8900 (7)0.0939 (6)1.0482 (5)0.090 (2)
H13A0.94300.13671.09960.108*
C140.8597 (8)0.0099 (7)1.0477 (6)0.102 (2)
H14A0.89350.03721.09800.123*
C150.7800 (8)0.0734 (6)0.9735 (7)0.110 (3)
H15A0.76010.14400.97300.132*
C160.7285 (6)0.0324 (5)0.8985 (5)0.0851 (19)
H16A0.67270.07600.84890.102*
C170.5609 (5)0.0261 (4)0.7429 (4)0.0592 (12)
C180.5552 (6)0.0165 (5)0.6491 (5)0.087 (2)
H18A0.62260.00740.61520.105*
C190.4502 (8)0.0940 (7)0.6061 (6)0.116 (3)
H19A0.44620.12110.54290.139*
C200.3537 (7)0.1302 (6)0.6557 (6)0.104 (3)
H20A0.28480.18440.62710.125*
C210.3545 (6)0.0892 (5)0.7473 (5)0.0852 (19)
H21A0.28610.11380.78000.102*
C220.4584 (5)0.0109 (5)0.7905 (4)0.0689 (14)
H22A0.45940.01750.85270.083*
C230.4181 (5)0.2787 (5)0.6702 (4)0.0662 (14)
C240.4157 (10)0.3300 (8)0.5920 (7)0.132 (3)
H24A0.45800.39980.59380.159*
C250.3425 (14)0.2693 (12)0.5041 (10)0.183 (5)
H25A0.33020.30200.44990.219*
C260.2928 (12)0.1676 (10)0.5002 (7)0.164 (5)
H26A0.25310.13030.44160.197*
C270.2986 (8)0.1187 (7)0.5778 (7)0.114 (3)
H27A0.26230.04800.57450.137*
C280.3610 (7)0.1760 (6)0.6654 (5)0.093 (2)
H28A0.36310.14290.72100.111*
C290.3550 (4)0.3415 (4)0.8510 (4)0.0563 (12)
C300.3754 (5)0.3688 (4)0.9499 (4)0.0639 (13)
H30A0.45490.38660.98310.077*
C310.2776 (6)0.3695 (5)0.9992 (5)0.0745 (16)
H31A0.29150.38791.06550.089*
C320.1621 (6)0.3438 (5)0.9516 (5)0.0836 (19)
H32A0.09690.34420.98550.100*
C330.1399 (6)0.3170 (6)0.8541 (6)0.102 (3)
H33A0.05970.29850.82210.123*
C340.2369 (6)0.3176 (6)0.8031 (5)0.088 (2)
H34A0.22240.30190.73640.105*
C350.5564 (5)0.4807 (4)0.7675 (3)0.0557 (12)
C360.6728 (5)0.5122 (5)0.7381 (4)0.0668 (14)
H36A0.71220.46460.72670.080*
C370.7313 (6)0.6138 (5)0.7255 (5)0.0794 (18)
H37A0.81010.63470.70660.095*
C380.6719 (7)0.6843 (5)0.7412 (4)0.0796 (17)
H38A0.71150.75310.73420.095*
C390.5547 (6)0.6528 (5)0.7669 (4)0.0775 (17)
H39A0.51430.70020.77490.093*
C400.4955 (5)0.5520 (5)0.7813 (4)0.0637 (14)
H40A0.41650.53170.79990.076*
N10.9673 (5)0.4885 (4)0.7963 (3)0.0739 (13)
N21.0568 (5)0.7364 (4)0.7028 (5)0.0874 (16)
N30.9162 (5)0.5329 (4)0.5742 (3)0.0762 (14)
N40.7558 (5)0.3470 (4)1.1689 (3)0.0782 (14)
P10.69335 (12)0.12815 (10)0.80297 (9)0.0520 (3)
P20.48484 (12)0.34845 (11)0.78656 (9)0.0553 (3)
S10.84295 (13)0.41039 (11)0.95008 (10)0.0639 (3)
S20.9920 (3)0.90670 (19)0.6841 (2)0.1268 (9)
S31.23155 (16)0.53513 (17)0.60428 (11)0.0892 (6)
S40.56481 (13)0.21337 (12)1.03401 (10)0.0656 (4)
Cd11.08337 (4)0.58836 (3)0.70088 (3)0.05882 (11)
Hg10.633841 (18)0.274940 (16)0.867716 (14)0.05247 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.044 (3)0.058 (3)0.061 (3)0.011 (2)0.004 (2)0.005 (2)
C20.066 (3)0.074 (3)0.076 (3)0.021 (3)0.003 (3)0.003 (3)
C30.056 (3)0.073 (4)0.063 (3)0.030 (3)0.012 (3)0.000 (3)
C40.062 (3)0.075 (4)0.050 (3)0.022 (3)0.014 (3)0.016 (3)
C50.053 (3)0.051 (3)0.058 (3)0.014 (2)0.007 (2)0.002 (2)
C60.102 (5)0.078 (4)0.067 (3)0.045 (4)0.023 (3)0.012 (3)
C70.129 (6)0.078 (4)0.082 (4)0.043 (4)0.035 (4)0.030 (4)
C80.088 (5)0.083 (5)0.087 (5)0.017 (4)0.035 (4)0.008 (4)
C90.092 (5)0.096 (5)0.100 (5)0.041 (4)0.045 (4)0.012 (4)
C100.071 (4)0.075 (4)0.090 (4)0.030 (3)0.028 (3)0.021 (3)
C110.054 (3)0.062 (3)0.061 (3)0.022 (2)0.010 (2)0.008 (2)
C120.084 (4)0.066 (4)0.071 (4)0.031 (3)0.003 (3)0.004 (3)
C130.099 (5)0.109 (6)0.069 (4)0.054 (5)0.019 (4)0.002 (4)
C140.099 (6)0.121 (7)0.104 (6)0.055 (5)0.008 (5)0.051 (5)
C150.110 (6)0.079 (5)0.147 (8)0.038 (5)0.002 (6)0.048 (5)
C160.080 (4)0.058 (3)0.112 (5)0.020 (3)0.007 (4)0.013 (3)
C170.055 (3)0.057 (3)0.060 (3)0.013 (2)0.002 (2)0.002 (2)
C180.072 (4)0.096 (5)0.071 (4)0.001 (4)0.010 (3)0.018 (3)
C190.104 (6)0.114 (6)0.086 (5)0.016 (5)0.016 (4)0.031 (4)
C200.088 (5)0.092 (5)0.093 (5)0.015 (4)0.008 (4)0.009 (4)
C210.060 (4)0.088 (5)0.088 (4)0.000 (3)0.001 (3)0.017 (4)
C220.059 (3)0.074 (4)0.066 (3)0.012 (3)0.007 (3)0.008 (3)
C230.069 (3)0.075 (3)0.058 (3)0.033 (3)0.004 (2)0.001 (2)
C240.156 (5)0.130 (5)0.100 (4)0.039 (4)0.001 (4)0.008 (4)
C250.201 (7)0.182 (6)0.157 (6)0.058 (5)0.003 (5)0.019 (5)
C260.240 (14)0.161 (10)0.081 (6)0.086 (10)0.059 (7)0.047 (6)
C270.102 (6)0.113 (6)0.114 (6)0.043 (5)0.032 (5)0.052 (5)
C280.089 (5)0.105 (6)0.078 (4)0.037 (4)0.018 (4)0.016 (4)
C290.046 (3)0.066 (3)0.058 (3)0.021 (2)0.002 (2)0.000 (2)
C300.054 (3)0.080 (4)0.062 (3)0.031 (3)0.001 (2)0.000 (3)
C310.073 (4)0.089 (4)0.069 (4)0.037 (3)0.017 (3)0.004 (3)
C320.060 (4)0.087 (4)0.101 (5)0.021 (3)0.018 (3)0.013 (4)
C330.049 (3)0.123 (6)0.123 (6)0.028 (4)0.007 (4)0.044 (5)
C340.061 (4)0.122 (6)0.078 (4)0.039 (4)0.009 (3)0.026 (4)
C350.054 (3)0.071 (3)0.048 (3)0.028 (3)0.003 (2)0.012 (2)
C360.070 (4)0.083 (4)0.062 (3)0.040 (3)0.021 (3)0.020 (3)
C370.073 (4)0.100 (5)0.080 (4)0.038 (4)0.031 (3)0.034 (4)
C380.100 (5)0.075 (4)0.072 (4)0.032 (4)0.028 (4)0.026 (3)
C390.092 (5)0.082 (4)0.073 (4)0.044 (4)0.026 (3)0.016 (3)
C400.065 (3)0.077 (4)0.060 (3)0.036 (3)0.015 (3)0.014 (3)
N10.068 (3)0.084 (3)0.058 (3)0.010 (3)0.005 (2)0.017 (2)
N20.073 (3)0.064 (3)0.118 (5)0.019 (3)0.001 (3)0.002 (3)
N30.073 (3)0.100 (4)0.057 (3)0.037 (3)0.001 (2)0.010 (3)
N40.073 (3)0.093 (4)0.054 (3)0.010 (3)0.000 (2)0.003 (3)
P10.0498 (7)0.0509 (7)0.0531 (7)0.0155 (6)0.0040 (5)0.0011 (5)
P20.0534 (7)0.0692 (8)0.0476 (6)0.0287 (7)0.0009 (5)0.0022 (6)
S10.0590 (8)0.0654 (8)0.0543 (7)0.0045 (6)0.0030 (6)0.0051 (6)
S20.154 (2)0.1051 (16)0.1363 (19)0.0749 (16)0.0125 (16)0.0018 (14)
S30.0691 (10)0.1422 (16)0.0615 (9)0.0527 (11)0.0095 (7)0.0168 (9)
S40.0578 (8)0.0779 (9)0.0512 (7)0.0086 (7)0.0072 (6)0.0088 (6)
Cd10.0584 (2)0.0641 (2)0.0504 (2)0.01619 (19)0.00662 (17)0.00405 (17)
Hg10.04942 (12)0.05911 (13)0.05027 (11)0.02130 (9)0.00310 (7)0.00416 (8)
Geometric parameters (Å, º) top
C1—N11.138 (7)C23—P21.801 (6)
C1—S11.648 (6)C24—C251.460 (15)
C2—N21.123 (8)C24—H24A0.9300
C2—S21.599 (7)C25—C261.335 (16)
C3—N3i1.137 (7)C25—H25A0.9300
C3—S31.659 (6)C26—C271.322 (14)
C4—N41.155 (7)C26—H26A0.9300
C4—S41.657 (6)C27—C281.407 (9)
C5—C61.364 (8)C27—H27A0.9300
C5—C101.381 (7)C28—H28A0.9300
C5—P11.811 (5)C29—C341.379 (7)
C6—C71.374 (9)C29—C301.387 (7)
C6—H6A0.9300C29—P21.803 (5)
C7—C81.372 (10)C30—C311.382 (8)
C7—H7A0.9300C30—H30A0.9300
C8—C91.349 (10)C31—C321.350 (9)
C8—H8A0.9300C31—H31A0.9300
C9—C101.385 (8)C32—C331.367 (10)
C9—H9A0.9300C32—H32A0.9300
C10—H10A0.9300C33—C341.384 (9)
C11—C161.374 (8)C33—H33A0.9300
C11—C121.398 (8)C34—H34A0.9300
C11—P11.799 (5)C35—C361.383 (7)
C12—C131.379 (8)C35—C401.403 (7)
C12—H12A0.9300C35—P21.801 (6)
C13—C141.367 (10)C36—C371.383 (9)
C13—H13A0.9300C36—H36A0.9300
C14—C151.364 (11)C37—C381.384 (9)
C14—H14A0.9300C37—H37A0.9300
C15—C161.394 (10)C38—C391.370 (9)
C15—H15A0.9300C38—H38A0.9300
C16—H16A0.9300C39—C401.380 (8)
C17—C221.382 (8)C39—H39A0.9300
C17—C181.392 (8)C40—H40A0.9300
C17—P11.795 (5)N1—Cd12.209 (5)
C18—C191.381 (9)N2—Cd12.174 (6)
C18—H18A0.9300N3—C3i1.137 (7)
C19—C201.344 (11)N3—Cd12.368 (5)
C19—H19A0.9300N4—Cd1ii2.363 (5)
C20—C211.368 (10)P1—Hg12.5012 (13)
C20—H20A0.9300P2—Hg12.4825 (13)
C21—C221.379 (8)S1—Hg12.6230 (14)
C21—H21A0.9300S3—Cd12.5409 (17)
C22—H22A0.9300S4—Hg12.6372 (14)
C23—C241.344 (11)Cd1—N4ii2.363 (5)
C23—C281.356 (9)
N1—C1—S1177.2 (5)C23—C28—H28A119.4
N2—C2—S2178.8 (7)C27—C28—H28A119.4
N3i—C3—S3177.7 (6)C34—C29—C30119.0 (5)
N4—C4—S4177.4 (5)C34—C29—P2121.4 (4)
C6—C5—C10118.7 (5)C30—C29—P2119.4 (4)
C6—C5—P1119.8 (4)C31—C30—C29119.9 (5)
C10—C5—P1121.5 (4)C31—C30—H30A120.0
C5—C6—C7120.9 (6)C29—C30—H30A120.0
C5—C6—H6A119.6C32—C31—C30120.4 (6)
C7—C6—H6A119.6C32—C31—H31A119.8
C8—C7—C6120.4 (6)C30—C31—H31A119.8
C8—C7—H7A119.8C31—C32—C33120.7 (6)
C6—C7—H7A119.8C31—C32—H32A119.6
C9—C8—C7119.1 (6)C33—C32—H32A119.6
C9—C8—H8A120.5C32—C33—C34119.8 (6)
C7—C8—H8A120.5C32—C33—H33A120.1
C8—C9—C10121.1 (7)C34—C33—H33A120.1
C8—C9—H9A119.5C29—C34—C33120.1 (6)
C10—C9—H9A119.5C29—C34—H34A119.9
C5—C10—C9119.8 (6)C33—C34—H34A119.9
C5—C10—H10A120.1C36—C35—C40119.6 (5)
C9—C10—H10A120.1C36—C35—P2119.4 (4)
C16—C11—C12118.4 (5)C40—C35—P2121.0 (4)
C16—C11—P1122.3 (5)C35—C36—C37120.6 (5)
C12—C11—P1119.2 (4)C35—C36—H36A119.7
C13—C12—C11120.2 (6)C37—C36—H36A119.7
C13—C12—H12A119.9C36—C37—C38119.7 (6)
C11—C12—H12A119.9C36—C37—H37A120.2
C14—C13—C12120.5 (7)C38—C37—H37A120.2
C14—C13—H13A119.8C39—C38—C37119.9 (6)
C12—C13—H13A119.8C39—C38—H38A120.1
C15—C14—C13120.2 (6)C37—C38—H38A120.1
C15—C14—H14A119.9C38—C39—C40121.4 (6)
C13—C14—H14A119.9C38—C39—H39A119.3
C14—C15—C16119.9 (7)C40—C39—H39A119.3
C14—C15—H15A120.1C39—C40—C35118.8 (5)
C16—C15—H15A120.1C39—C40—H40A120.6
C11—C16—C15120.7 (7)C35—C40—H40A120.6
C11—C16—H16A119.6C1—N1—Cd1166.1 (5)
C15—C16—H16A119.6C2—N2—Cd1170.5 (5)
C22—C17—C18118.0 (5)C3i—N3—Cd1163.5 (5)
C22—C17—P1119.0 (4)C4—N4—Cd1ii163.4 (5)
C18—C17—P1123.0 (4)C17—P1—C11105.2 (3)
C19—C18—C17120.5 (6)C17—P1—C5106.7 (2)
C19—C18—H18A119.8C11—P1—C5108.8 (2)
C17—C18—H18A119.8C17—P1—Hg1111.43 (18)
C20—C19—C18119.9 (7)C11—P1—Hg1112.28 (18)
C20—C19—H19A120.1C5—P1—Hg1112.03 (17)
C18—C19—H19A120.1C23—P2—C35107.5 (3)
C19—C20—C21121.5 (7)C23—P2—C29105.3 (3)
C19—C20—H20A119.2C35—P2—C29107.0 (2)
C21—C20—H20A119.2C23—P2—Hg1110.33 (19)
C20—C21—C22119.0 (6)C35—P2—Hg1112.50 (16)
C20—C21—H21A120.5C29—P2—Hg1113.83 (17)
C22—C21—H21A120.5C1—S1—Hg1103.24 (18)
C21—C22—C17121.1 (6)C3—S3—Cd199.77 (18)
C21—C22—H22A119.4C4—S4—Hg1101.47 (18)
C17—C22—H22A119.4N2—Cd1—N1111.6 (2)
C24—C23—C28121.5 (7)N2—Cd1—N4ii90.0 (2)
C24—C23—P2119.6 (6)N1—Cd1—N4ii89.82 (18)
C28—C23—P2118.6 (5)N2—Cd1—N386.1 (2)
C23—C24—C25115.8 (10)N1—Cd1—N389.93 (18)
C23—C24—H24A122.1N4ii—Cd1—N3175.79 (18)
C25—C24—H24A122.1N2—Cd1—S3125.04 (17)
C26—C25—C24121.2 (12)N1—Cd1—S3123.34 (15)
C26—C25—H25A119.4N4ii—Cd1—S389.26 (14)
C24—C25—H25A119.4N3—Cd1—S394.39 (12)
C27—C26—C25121.5 (10)P2—Hg1—P1127.29 (4)
C27—C26—H26A119.3P2—Hg1—S1114.79 (5)
C25—C26—H26A119.3P1—Hg1—S1104.62 (5)
C26—C27—C28118.5 (9)P2—Hg1—S4110.13 (5)
C26—C27—H27A120.7P1—Hg1—S4100.82 (5)
C28—C27—H27A120.7S1—Hg1—S493.09 (4)
C23—C28—C27121.2 (8)
C10—C5—C6—C70.2 (10)C6—C5—P1—C11157.0 (5)
P1—C5—C6—C7176.1 (6)C10—C5—P1—C1126.8 (5)
C5—C6—C7—C80.7 (11)C6—C5—P1—Hg132.2 (5)
C6—C7—C8—C90.9 (12)C10—C5—P1—Hg1151.6 (4)
C7—C8—C9—C100.4 (12)C24—C23—P2—C357.7 (7)
C6—C5—C10—C90.3 (9)C28—C23—P2—C35178.4 (5)
P1—C5—C10—C9176.5 (5)C24—C23—P2—C29106.1 (7)
C8—C9—C10—C50.1 (11)C28—C23—P2—C2967.8 (6)
C16—C11—C12—C131.2 (9)C24—C23—P2—Hg1130.7 (6)
P1—C11—C12—C13177.1 (5)C28—C23—P2—Hg155.4 (6)
C11—C12—C13—C142.2 (11)C36—C35—P2—C2381.0 (5)
C12—C13—C14—C151.3 (13)C40—C35—P2—C2398.6 (4)
C13—C14—C15—C160.6 (13)C36—C35—P2—C29166.4 (4)
C12—C11—C16—C150.7 (10)C40—C35—P2—C2914.0 (5)
P1—C11—C16—C15178.9 (6)C36—C35—P2—Hg140.6 (5)
C14—C15—C16—C111.6 (13)C40—C35—P2—Hg1139.8 (4)
C22—C17—C18—C190.6 (11)C34—C29—P2—C2319.0 (6)
P1—C17—C18—C19179.1 (7)C30—C29—P2—C23166.3 (5)
C17—C18—C19—C201.5 (14)C34—C29—P2—C3595.1 (6)
C18—C19—C20—C212.8 (15)C30—C29—P2—C3579.6 (5)
C19—C20—C21—C221.9 (13)C34—C29—P2—Hg1140.0 (5)
C20—C21—C22—C170.2 (10)C30—C29—P2—Hg145.4 (5)
C18—C17—C22—C211.5 (9)N1—C1—S1—Hg1176 (100)
P1—C17—C22—C21180.0 (5)N3i—C3—S3—Cd1139 (14)
C28—C23—C24—C253.3 (14)N4—C4—S4—Hg1178 (100)
P2—C23—C24—C25170.4 (8)C2—N2—Cd1—N187 (4)
C23—C24—C25—C267 (2)C2—N2—Cd1—N4ii177 (4)
C24—C25—C26—C276 (2)C2—N2—Cd1—N31 (4)
C25—C26—C27—C281.2 (19)C2—N2—Cd1—S394 (4)
C24—C23—C28—C271.1 (12)C1—N1—Cd1—N241 (2)
P2—C23—C28—C27174.9 (6)C1—N1—Cd1—N4ii49 (2)
C26—C27—C28—C232.4 (13)C1—N1—Cd1—N3126 (2)
C34—C29—C30—C311.4 (9)C1—N1—Cd1—S3138.4 (19)
P2—C29—C30—C31176.2 (5)C3i—N3—Cd1—N2109.5 (18)
C29—C30—C31—C320.0 (10)C3i—N3—Cd1—N1138.8 (18)
C30—C31—C32—C330.3 (11)C3i—N3—Cd1—N4ii135 (2)
C31—C32—C33—C340.9 (12)C3i—N3—Cd1—S315.4 (18)
C30—C29—C34—C332.6 (11)C3—S3—Cd1—N285.5 (3)
P2—C29—C34—C33177.3 (6)C3—S3—Cd1—N195.7 (3)
C32—C33—C34—C292.4 (12)C3—S3—Cd1—N4ii175.0 (3)
C40—C35—C36—C372.2 (8)C3—S3—Cd1—N32.9 (3)
P2—C35—C36—C37178.2 (4)C23—P2—Hg1—P11.2 (2)
C35—C36—C37—C380.9 (9)C35—P2—Hg1—P1118.74 (18)
C36—C37—C38—C391.4 (10)C29—P2—Hg1—P1119.30 (19)
C37—C38—C39—C402.5 (10)C23—P2—Hg1—S1135.8 (2)
C38—C39—C40—C351.1 (9)C35—P2—Hg1—S115.78 (19)
C36—C35—C40—C391.2 (8)C29—P2—Hg1—S1106.18 (19)
P2—C35—C40—C39179.2 (4)C23—P2—Hg1—S4120.8 (2)
S1—C1—N1—Cd134 (13)C35—P2—Hg1—S4119.22 (18)
S2—C2—N2—Cd1132 (29)C29—P2—Hg1—S42.7 (2)
S4—C4—N4—Cd1ii58 (14)C17—P1—Hg1—P241.9 (2)
C22—C17—P1—C1170.4 (5)C11—P1—Hg1—P2159.69 (19)
C18—C17—P1—C11111.1 (6)C5—P1—Hg1—P277.50 (19)
C22—C17—P1—C5174.1 (5)C17—P1—Hg1—S1179.94 (19)
C18—C17—P1—C54.4 (6)C11—P1—Hg1—S162.30 (19)
C22—C17—P1—Hg151.6 (5)C5—P1—Hg1—S160.50 (19)
C18—C17—P1—Hg1126.9 (5)C17—P1—Hg1—S483.94 (19)
C16—C11—P1—C1715.6 (6)C11—P1—Hg1—S433.82 (19)
C12—C11—P1—C17162.6 (5)C5—P1—Hg1—S4156.62 (18)
C16—C11—P1—C598.4 (5)C1—S1—Hg1—P271.5 (2)
C12—C11—P1—C583.4 (5)C1—S1—Hg1—P172.7 (2)
C16—C11—P1—Hg1137.0 (5)C1—S1—Hg1—S4174.7 (2)
C12—C11—P1—Hg141.2 (5)C4—S4—Hg1—P2114.0 (2)
C6—C5—P1—C1789.9 (5)C4—S4—Hg1—P1109.3 (2)
C10—C5—P1—C1786.2 (5)C4—S4—Hg1—S13.8 (2)
Symmetry codes: (i) x+2, y+1, z+1; (ii) x+2, y+1, z+2.
 

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