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The heterocyclic ligand in the title copper(I) iodide adduct, [CuI(C4H6N2S)(C18H15P)2], coordinates to the metal atom through the S atom; the Cu atom is in a tetrahedral environment.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804010256/ww6196sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804010256/ww6196Isup2.hkl
Contains datablock I

CCDC reference: 242023

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.052
  • wR factor = 0.124
  • Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I1 - Cu1 .. 14.88 su
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.62 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - S1 .. 5.21 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C9 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C7 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C7 -C12 1.37 Ang.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 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 6 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.

Iodo(1-methyl-2-mercaptoimidazole-κS)bis(triphenylphosphine-κP)copper(I) top
Crystal data top
[CuI(C4H6N2S)(C18H15P)2]F(000) = 3344
Mr = 829.15Dx = 1.501 Mg m3
Orthorhombic, PccnMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ab 2acCell parameters from 4458 reflections
a = 22.203 (1) Åθ = 2.2–20.8°
b = 17.877 (1) ŵ = 1.61 mm1
c = 18.487 (1) ÅT = 296 K
V = 7337.6 (7) Å3Block, colorless
Z = 80.28 × 0.22 × 0.15 mm
Data collection top
Bruker APEX area-detector
diffractometer
8738 independent reflections
Radiation source: fine-focus sealed tube6085 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.066
φ and ω scansθmax = 28.1°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1729
Tmin = 0.660, Tmax = 0.785k = 2223
43051 measured reflectionsl = 2423
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)] = 0.052Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.124H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.0571P)2]
where P = (Fo2 + 2Fc2)/3
8738 reflections(Δ/σ)max = 0.001
428 parametersΔρmax = 0.52 e Å3
1 restraintΔρmin = 0.53 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
I10.72905 (1)0.13197 (2)0.23818 (2)0.0466 (1)
Cu10.64446 (2)0.06507 (2)0.31897 (2)0.0332 (1)
S10.64770 (6)0.09921 (6)0.44275 (5)0.0487 (3)
P10.67182 (5)0.05807 (5)0.32096 (5)0.0318 (2)
P20.55631 (4)0.11158 (5)0.27337 (5)0.0302 (2)
N10.6748 (2)0.2394 (2)0.3946 (2)0.0484 (9)
N20.6654 (1)0.2330 (2)0.5091 (2)0.0407 (8)
C10.6755 (2)0.1131 (2)0.2375 (2)0.037 (1)
C20.6584 (2)0.1873 (3)0.2321 (3)0.055 (1)
C30.6653 (2)0.2264 (3)0.1679 (3)0.069 (2)
C40.6881 (2)0.1906 (3)0.1083 (3)0.071 (2)
C50.7049 (3)0.1172 (3)0.1123 (3)0.068 (2)
C60.6991 (2)0.0788 (3)0.1772 (2)0.054 (1)
C70.7463 (2)0.0755 (2)0.3593 (2)0.035 (1)
C80.7770 (2)0.0179 (3)0.3901 (3)0.062 (1)
C90.8334 (2)0.0284 (3)0.4202 (3)0.081 (2)
C100.8591 (2)0.0967 (3)0.4178 (3)0.067 (2)
C110.8301 (2)0.1549 (3)0.3874 (3)0.075 (2)
C120.7737 (2)0.1443 (3)0.3578 (3)0.066 (2)
C130.6218 (2)0.1108 (2)0.3798 (2)0.037 (1)
C140.5632 (2)0.1226 (3)0.3569 (3)0.055 (1)
C150.5208 (3)0.1530 (3)0.4032 (3)0.073 (2)
C160.5366 (3)0.1727 (3)0.4712 (3)0.076 (2)
C170.5935 (3)0.1624 (3)0.4945 (3)0.076 (2)
C180.6367 (2)0.1317 (3)0.4491 (3)0.058 (1)
C190.5503 (2)0.1004 (2)0.1755 (2)0.032 (1)
C200.5713 (2)0.0341 (2)0.1471 (2)0.047 (1)
C210.5694 (2)0.0203 (3)0.0741 (2)0.057 (1)
C220.5469 (2)0.0735 (3)0.0277 (2)0.052 (1)
C230.5254 (2)0.1397 (3)0.0553 (2)0.053 (1)
C240.5271 (2)0.1526 (2)0.1286 (2)0.044 (1)
C250.5462 (2)0.2123 (2)0.2870 (2)0.032 (1)
C260.5009 (2)0.2414 (2)0.3294 (2)0.046 (1)
C270.4967 (2)0.3177 (3)0.3422 (3)0.057 (1)
C280.5374 (2)0.3656 (2)0.3116 (3)0.054 (1)
C290.5828 (2)0.3379 (2)0.2691 (2)0.050 (1)
C300.5873 (2)0.2615 (2)0.2574 (2)0.042 (1)
C310.4853 (2)0.0719 (2)0.3061 (2)0.037 (1)
C320.4333 (2)0.0725 (3)0.2667 (3)0.058 (1)
C330.3809 (2)0.0424 (3)0.2934 (3)0.071 (2)
C340.3802 (3)0.0118 (3)0.3604 (3)0.069 (2)
C350.4308 (3)0.0100 (3)0.4010 (3)0.070 (2)
C360.4843 (2)0.0394 (2)0.3737 (2)0.055 (1)
C370.6625 (2)0.1919 (2)0.4486 (2)0.036 (1)
C380.6851 (2)0.3098 (2)0.4210 (3)0.057 (1)
C390.6796 (2)0.3057 (3)0.4920 (3)0.054 (1)
C400.6582 (3)0.2033 (3)0.5818 (2)0.073 (2)
H10.677 (2)0.225 (2)0.3509 (9)0.06 (2)*
H20.64210.21130.27220.066*
H30.65450.27650.16520.083*
H40.69220.21650.06490.085*
H50.72020.09300.07170.081*
H60.71140.02920.18010.065*
H80.75980.02950.39100.074*
H90.85350.01130.44180.098*
H100.89730.10370.43740.080*
H110.84790.20190.38640.089*
H120.75390.18440.33650.079*
H140.55230.10990.31000.066*
H150.48140.16000.38750.088*
H160.50810.19350.50210.092*
H170.60400.17600.54140.092*
H180.67590.12530.46560.070*
H200.58710.00200.17790.056*
H210.58320.02510.05610.068*
H220.54630.06480.02190.063*
H230.50960.17570.02440.063*
H240.51220.19750.14670.053*
H260.47260.20940.34980.055*
H270.46610.33630.37150.068*
H280.53440.41690.31970.065*
H290.61050.37020.24810.060*
H300.61850.24300.22910.051*
H320.43340.09380.22070.069*
H330.34600.04310.26550.085*
H340.34460.00820.37860.083*
H350.43000.01080.44710.084*
H360.51940.03710.40110.066*
H380.69410.35230.39410.068*
H390.68460.34490.52460.064*
H40a0.61900.18100.58640.110*
H40b0.68850.16620.59070.110*
H40c0.66220.24310.61630.110*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I10.0502 (2)0.0423 (2)0.0473 (2)0.0087 (1)0.0119 (1)0.0014 (1)
Cu10.0390 (3)0.0269 (2)0.0336 (3)0.0003 (2)0.0030 (2)0.0006 (2)
S10.0759 (8)0.0407 (6)0.0295 (5)0.0147 (6)0.0021 (5)0.0011 (5)
P10.0367 (6)0.0240 (5)0.0347 (5)0.0001 (4)0.0071 (4)0.0008 (4)
P20.0354 (5)0.0286 (5)0.0267 (5)0.0010 (4)0.0019 (4)0.0032 (4)
N10.070 (3)0.039 (2)0.036 (2)0.00 (2)0.003 (2)0.000 (2)
N20.043 (2)0.046 (2)0.033 (2)0.003 (2)0.004 (2)0.012 (2)
C10.039 (2)0.034 (2)0.037 (2)0.006 (2)0.009 (2)0.006 (2)
C20.071 (3)0.039 (3)0.055 (3)0.002 (2)0.007 (3)0.009 (2)
C30.083 (4)0.050 (3)0.074 (4)0.004 (3)0.012 (3)0.028 (3)
C40.072 (4)0.078 (4)0.062 (3)0.017 (3)0.003 (3)0.032 (3)
C50.082 (4)0.074 (4)0.048 (3)0.013 (3)0.011 (3)0.005 (3)
C60.064 (3)0.049 (3)0.050 (3)0.003 (2)0.008 (2)0.003 (2)
C70.037 (2)0.033 (2)0.036 (2)0.007 (2)0.008 (2)0.0015 (17)
C80.056 (3)0.039 (3)0.089 (4)0.003 (2)0.030 (3)0.009 (3)
C90.063 (3)0.064 (4)0.118 (5)0.002 (3)0.049 (4)0.015 (3)
C100.046 (3)0.095 (4)0.059 (3)0.014 (3)0.020 (3)0.009 (3)
C110.069 (4)0.066 (3)0.088 (4)0.037 (3)0.027 (3)0.019 (3)
C120.063 (3)0.049 (3)0.086 (4)0.012 (2)0.025 (3)0.023 (3)
C130.052 (3)0.020 (2)0.039 (2)0.002 (2)0.000 (2)0.001 (2)
C140.051 (3)0.056 (3)0.059 (3)0.015 (2)0.008 (2)0.006 (2)
C150.062 (3)0.066 (3)0.091 (4)0.028 (3)0.011 (3)0.001 (3)
C160.096 (5)0.052 (3)0.081 (4)0.023 (3)0.033 (4)0.003 (3)
C170.095 (5)0.082 (4)0.052 (3)0.003 (3)0.009 (3)0.021 (3)
C180.057 (3)0.067 (3)0.050 (3)0.004 (2)0.001 (2)0.011 (2)
C190.028 (2)0.035 (2)0.031 (2)0.002 (2)0.002 (2)0.002 (2)
C200.057 (3)0.043 (2)0.041 (2)0.010 (2)0.000 (2)0.002 (2)
C210.069 (3)0.059 (3)0.042 (3)0.010 (3)0.003 (2)0.018 (2)
C220.050 (3)0.076 (3)0.031 (2)0.006 (2)0.002 (2)0.013 (2)
C230.059 (3)0.066 (3)0.033 (2)0.001 (2)0.007 (2)0.014 (2)
C240.053 (3)0.042 (2)0.039 (2)0.005 (2)0.003 (2)0.003 (2)
C250.035 (2)0.033 (2)0.028 (2)0.003 (2)0.004 (2)0.001 (2)
C260.048 (2)0.041 (2)0.047 (3)0.003 (2)0.006 (2)0.006 (2)
C270.057 (3)0.047 (3)0.066 (3)0.012 (2)0.011 (3)0.011 (2)
C280.070 (3)0.033 (2)0.060 (3)0.005 (2)0.015 (3)0.007 (2)
C290.057 (3)0.038 (2)0.055 (3)0.009 (2)0.002 (2)0.009 (2)
C300.047 (2)0.038 (2)0.042 (2)0.003 (2)0.007 (2)0.0049 (19)
C310.039 (2)0.031 (2)0.040 (2)0.002 (2)0.009 (2)0.001 (2)
C320.044 (3)0.072 (3)0.057 (3)0.008 (2)0.000 (2)0.010 (3)
C330.044 (3)0.083 (4)0.085 (4)0.014 (3)0.006 (3)0.003 (3)
C340.056 (3)0.058 (3)0.094 (4)0.014 (3)0.028 (3)0.005 (3)
C350.073 (4)0.067 (4)0.070 (4)0.014 (3)0.024 (3)0.018 (3)
C360.059 (3)0.056 (3)0.049 (3)0.009 (2)0.008 (2)0.011 (2)
C370.033 (2)0.043 (2)0.032 (2)0.003 (2)0.001 (2)0.004 (2)
C380.067 (3)0.035 (2)0.069 (3)0.007 (2)0.001 (3)0.001 (2)
C390.050 (3)0.042 (3)0.068 (3)0.005 (2)0.001 (2)0.024 (2)
C400.101 (4)0.082 (4)0.036 (3)0.016 (3)0.013 (3)0.015 (3)
Geometric parameters (Å, º) top
I1—Cu12.6811 (5)C16—C171.347 (8)
Cu1—P12.284 (1)C16—H160.9300
Cu1—P22.288 (1)C17—C181.387 (7)
Cu1—S12.369 (1)C17—H170.9300
S1—C371.692 (4)C18—H180.9300
P1—C131.818 (4)C19—C241.375 (5)
P1—C71.825 (4)C19—C201.379 (5)
P1—C11.832 (4)C20—C211.372 (6)
P2—C191.825 (4)C20—H200.9300
P2—C311.832 (4)C21—C221.375 (6)
P2—C251.833 (4)C21—H210.9300
N1—C371.339 (5)C22—C231.374 (6)
N1—C381.370 (5)C22—H220.9300
N1—H10.85 (1)C23—C241.374 (6)
N2—C371.341 (5)C23—H230.9300
N2—C391.374 (5)C24—H240.9300
N2—C401.455 (5)C25—C261.378 (5)
C1—C61.376 (6)C25—C301.379 (5)
C1—C21.383 (6)C26—C271.386 (6)
C2—C31.387 (6)C26—H260.9300
C2—H20.9300C27—C281.369 (7)
C3—C41.370 (7)C27—H270.9300
C3—H30.9300C28—C291.370 (7)
C4—C51.367 (7)C28—H280.9300
C4—H40.9300C29—C301.387 (6)
C5—C61.389 (6)C29—H290.9300
C5—H50.9300C30—H300.9300
C6—H60.9300C31—C321.366 (6)
C7—C81.360 (6)C31—C361.377 (6)
C7—C121.373 (5)C32—C331.373 (7)
C8—C91.382 (6)C32—H320.9300
C8—H80.9300C33—C341.355 (8)
C9—C101.348 (7)C33—H330.9300
C9—H90.9300C34—C351.352 (7)
C10—C111.347 (7)C34—H340.9300
C10—H100.9300C35—C361.393 (6)
C11—C121.379 (7)C35—H350.9300
C11—H110.9300C36—H360.9300
C12—H120.9300C38—C391.322 (6)
C13—C181.376 (6)C38—H380.9300
C13—C141.383 (6)C39—H390.9300
C14—C151.384 (7)C40—H40a0.9600
C14—H140.9300C40—H40b0.9600
C15—C161.353 (8)C40—H40c0.9600
C15—H150.9300
P1—Cu1—P2125.72 (4)C16—C17—H17119.7
P1—Cu1—S1102.99 (4)C18—C17—H17119.7
P1—Cu1—I1104.63 (3)C13—C18—C17120.3 (5)
P2—Cu1—S1106.75 (4)C13—C18—H18119.8
P2—Cu1—I1103.41 (3)C17—C18—H18119.8
S1—Cu1—I1113.70 (3)C24—C19—C20118.0 (4)
C37—S1—Cu1108.6 (1)C24—C19—P2125.4 (3)
C13—P1—C7103.5 (2)C20—C19—P2116.6 (3)
C13—P1—C1104.6 (2)C21—C20—C19121.3 (4)
C7—P1—C1101.3 (2)C21—C20—H20119.4
C13—P1—Cu1110.3 (1)C19—C20—H20119.4
C7—P1—Cu1114.3 (1)C20—C21—C22120.1 (4)
C1—P1—Cu1121.1 (1)C20—C21—H21120.0
C19—P2—C31102.9 (2)C22—C21—H21120.0
C19—P2—C25103.6 (2)C23—C22—C21119.3 (4)
C31—P2—C25103.3 (2)C23—C22—H22120.3
C19—P2—Cu1112.8 (1)C21—C22—H22120.3
C31—P2—Cu1118.3 (1)C24—C23—C22120.1 (4)
C25—P2—Cu1114.3 (1)C24—C23—H23119.9
C37—N1—C38110.6 (4)C22—C23—H23119.9
C37—N1—H1122 (3)C23—C24—C19121.2 (4)
C38—N1—H1127 (3)C23—C24—H24119.4
C37—N2—C39109.8 (4)C19—C24—H24119.4
C37—N2—C40124.4 (4)C26—C25—C30118.0 (4)
C39—N2—C40125.7 (4)C26—C25—P2122.6 (3)
C6—C1—C2118.3 (4)C30—C25—P2119.4 (3)
C6—C1—P1117.4 (3)C25—C26—C27121.1 (4)
C2—C1—P1124.3 (3)C25—C26—H26119.5
C1—C2—C3120.9 (5)C27—C26—H26119.5
C1—C2—H2119.5C28—C27—C26120.1 (4)
C3—C2—H2119.5C28—C27—H27119.9
C4—C3—C2119.7 (5)C26—C27—H27119.9
C4—C3—H3120.2C27—C28—C29119.7 (4)
C2—C3—H3120.2C27—C28—H28120.2
C5—C4—C3120.4 (5)C29—C28—H28120.2
C5—C4—H4119.8C28—C29—C30120.0 (4)
C3—C4—H4119.8C28—C29—H29120.0
C4—C5—C6119.7 (5)C30—C29—H29120.0
C4—C5—H5120.2C25—C30—C29121.2 (4)
C6—C5—H5120.2C25—C30—H30119.4
C1—C6—C5121.0 (5)C29—C30—H30119.4
C1—C6—H6119.5C32—C31—C36118.3 (4)
C5—C6—H6119.5C32—C31—P2123.2 (3)
C8—C7—C12117.6 (4)C36—C31—P2118.5 (3)
C8—C7—P1119.3 (3)C31—C32—C33121.4 (5)
C12—C7—P1123.1 (3)C31—C32—H32119.3
C7—C8—C9121.3 (4)C33—C32—H32119.3
C7—C8—H8119.3C34—C33—C32119.8 (5)
C9—C8—H8119.3C34—C33—H33120.1
C10—C9—C8119.6 (5)C32—C33—H33120.1
C10—C9—H9120.2C35—C34—C33120.5 (5)
C8—C9—H9120.2C35—C34—H34119.7
C11—C10—C9120.7 (5)C33—C34—H34119.7
C11—C10—H10119.7C34—C35—C36119.9 (5)
C9—C10—H10119.7C34—C35—H35120.1
C10—C11—C12119.6 (5)C36—C35—H35120.1
C10—C11—H11120.2C31—C36—C35120.1 (5)
C12—C11—H11120.2C31—C36—H36119.9
C7—C12—C11121.2 (5)C35—C36—H36119.9
C7—C12—H12119.4N1—C37—N2105.3 (3)
C11—C12—H12119.4N1—C37—S1127.8 (3)
C18—C13—C14118.0 (4)N2—C37—S1126.8 (3)
C18—C13—P1123.4 (4)C39—C38—N1106.7 (4)
C14—C13—P1118.1 (3)C39—C38—H38126.6
C13—C14—C15120.8 (5)N1—C38—H38126.6
C13—C14—H14119.6C38—C39—N2107.6 (4)
C15—C14—H14119.6C38—C39—H39126.2
C16—C15—C14119.9 (5)N2—C39—H39126.2
C16—C15—H15120.0N2—C40—H40a109.5
C14—C15—H15120.0N2—C40—H40b109.5
C17—C16—C15120.4 (5)N2—C40—H40c109.5
C17—C16—H16119.8H40a—C40—H40c109.5
C15—C16—H16119.8H40a—C40—H40b109.5
C16—C17—C18120.6 (5)H40b—C40—H40c109.5
P1—Cu1—S1—C37152.5 (2)C15—C16—C17—C180.2 (9)
P2—Cu1—S1—C3773.4 (2)C14—C13—C18—C171.1 (7)
I1—Cu1—S1—C3739.9 (2)P1—C13—C18—C17170.8 (4)
P2—Cu1—P1—C1365.4 (2)C16—C17—C18—C130.5 (8)
S1—Cu1—P1—C1356.6 (2)C31—P2—C19—C2491.4 (4)
I1—Cu1—P1—C13175.7 (1)C25—P2—C19—C2415.9 (4)
P2—Cu1—P1—C7178.5 (2)Cu1—P2—C19—C24140.0 (3)
S1—Cu1—P1—C759.5 (2)C31—P2—C19—C2089.0 (3)
I1—Cu1—P1—C759.7 (2)C25—P2—C19—C20163.7 (3)
P2—Cu1—P1—C157.0 (2)Cu1—P2—C19—C2039.6 (3)
S1—Cu1—P1—C1179.1 (2)C24—C19—C20—C210.2 (6)
I1—Cu1—P1—C161.8 (2)P2—C19—C20—C21179.5 (4)
P1—Cu1—P2—C1966.6 (1)C19—C20—C21—C220.9 (7)
S1—Cu1—P2—C19173.0 (1)C20—C21—C22—C231.4 (7)
I1—Cu1—P2—C1952.8 (1)C21—C22—C23—C240.9 (7)
P1—Cu1—P2—C3153.4 (2)C22—C23—C24—C190.2 (7)
S1—Cu1—P2—C3167.0 (2)C20—C19—C24—C230.8 (6)
I1—Cu1—P2—C31172.8 (1)P2—C19—C24—C23178.9 (3)
P1—Cu1—P2—C25175.3 (1)C19—P2—C25—C26121.3 (3)
S1—Cu1—P2—C2555.0 (1)C31—P2—C25—C2614.3 (4)
I1—Cu1—P2—C2565.2 (1)Cu1—P2—C25—C26115.6 (3)
C13—P1—C1—C6165.6 (3)C19—P2—C25—C3062.5 (3)
C7—P1—C1—C687.1 (4)C31—P2—C25—C30169.5 (3)
Cu1—P1—C1—C640.5 (4)Cu1—P2—C25—C3060.7 (3)
C13—P1—C1—C217.1 (4)C30—C25—C26—C270.2 (6)
C7—P1—C1—C290.2 (4)P2—C25—C26—C27176.1 (3)
Cu1—P1—C1—C2142.2 (3)C25—C26—C27—C281.0 (7)
C6—C1—C2—C30.4 (7)C26—C27—C28—C290.8 (7)
P1—C1—C2—C3176.8 (4)C27—C28—C29—C300.2 (7)
C1—C2—C3—C41.4 (8)C26—C25—C30—C290.8 (6)
C2—C3—C4—C51.0 (8)P2—C25—C30—C29177.1 (3)
C3—C4—C5—C60.4 (8)C28—C29—C30—C251.0 (7)
C2—C1—C6—C51.0 (7)C19—P2—C31—C3229.2 (4)
P1—C1—C6—C5178.4 (4)C25—P2—C31—C3278.4 (4)
C4—C5—C6—C11.4 (8)Cu1—P2—C31—C32154.3 (3)
C13—P1—C7—C8113.3 (4)C19—P2—C31—C36150.4 (3)
C1—P1—C7—C8138.5 (4)C25—P2—C31—C36102.0 (3)
Cu1—P1—C7—C86.6 (4)Cu1—P2—C31—C3625.4 (4)
C13—P1—C7—C1267.8 (4)C36—C31—C32—C330.7 (7)
C1—P1—C7—C1240.4 (5)P2—C31—C32—C33179.7 (4)
Cu1—P1—C7—C12172.3 (4)C31—C32—C33—C340.4 (8)
C12—C7—C8—C91.3 (8)C32—C33—C34—C350.6 (9)
P1—C7—C8—C9179.7 (5)C33—C34—C35—C360.4 (8)
C7—C8—C9—C101.3 (10)C32—C31—C36—C351.7 (7)
C8—C9—C10—C110.9 (10)P2—C31—C36—C35178.7 (4)
C9—C10—C11—C120.6 (9)C34—C35—C36—C311.6 (8)
C8—C7—C12—C111.0 (8)C38—N1—C37—N20.3 (5)
P1—C7—C12—C11179.9 (4)C38—N1—C37—S1179.1 (3)
C10—C11—C12—C70.6 (9)C39—N2—C37—N10.1 (5)
C7—P1—C13—C1821.5 (4)C40—N2—C37—N1176.5 (4)
C1—P1—C13—C18127.2 (4)C39—N2—C37—S1178.7 (3)
Cu1—P1—C13—C18101.1 (4)C40—N2—C37—S12.3 (6)
C7—P1—C13—C14166.5 (3)Cu1—S1—C37—N14.4 (4)
C1—P1—C13—C1460.8 (4)Cu1—S1—C37—N2177.0 (3)
Cu1—P1—C13—C1470.9 (3)C37—N1—C38—C390.6 (6)
C18—C13—C14—C151.4 (7)N1—C38—C39—N20.7 (5)
P1—C13—C14—C15171.0 (4)C37—N2—C39—C380.5 (5)
C13—C14—C15—C161.0 (8)C40—N2—C39—C38176.9 (5)
C14—C15—C16—C170.4 (9)
 

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