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Cations of the title compound, [Ir(C10H15)(C5H10NS2)(CO)](CF3O3S), contain half-sandwich (η5-C5Me5)IrIII fragments. The remaining positions in the octa­hedral IrIII coordination environment are occupied by the S atoms of the bidentate diethyl­dithio­carbamate ligand and the C atom of the carbonyl ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052019/ng2169sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052019/ng2169Isup2.hkl
Contains datablock I

CCDC reference: 633967

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.025
  • wR factor = 0.063
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir1 - S2 .. 5.42 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for S10 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C10 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 C12 -IR1 -C1 -O1 -7.00 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 ... # 28 C14 -IR1 -C1 -O1 -18.00 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 ... # 29 C15 -IR1 -C1 -O1 20.00 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 ... # 30 C13 -IR1 -C1 -O1 -44.00 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 ... # 31 C11 -IR1 -C1 -O1 43.00 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 ... # 32 S1 -IR1 -C1 -O1 143.00 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 ... # 33 S2 -IR1 -C1 -O1 -145.00 13.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 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 3 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 9 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: R3m/V (Siemens, 1989); cell refinement: R3m/V; data reduction: XDISK (Siemens, 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1995); software used to prepare material for publication: SHELXL97.

Carbonyl(diethyldithiocarbamato)(η5-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate top
Crystal data top
[Ir(C10H15)(C5H10NS2)(CO)](CF3O3S)Z = 2
Mr = 652.76F(000) = 636
Triclinic, P1Dx = 1.818 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.194 (4) ÅCell parameters from 16 reflections
b = 12.1398 (12) Åθ = 5.3–12.4°
c = 13.2421 (19) ŵ = 5.91 mm1
α = 112.061 (7)°T = 292 K
β = 101.245 (17)°Prism, yellow
γ = 90.470 (15)°0.46 × 0.44 × 0.33 mm
V = 1192.6 (6) Å3
Data collection top
Siemens P4
diffractometer
3830 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.024
Graphite monochromatorθmax = 25.0°, θmin = 2.0°
ω scansh = 91
Absorption correction: empirical (using intensity measurements)
via ψ scans (North et al., 1968)
k = 1313
Tmin = 0.081, Tmax = 0.145l = 1515
5035 measured reflections3 standard reflections every 97 reflections
4099 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)] = 0.025H-atom parameters constrained
wR(F2) = 0.063 w = 1/[σ2(Fo2) + (0.0341P)2 + 0.7703P]
where P = (Fo2 + 2Fc2)/3
S = 1.09(Δ/σ)max = 0.009
4099 reflectionsΔρmax = 0.78 e Å3
264 parametersΔρmin = 0.88 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0089 (5)
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
Ir10.200390 (19)0.093672 (13)0.833455 (13)0.04038 (9)
S10.25931 (15)0.09841 (11)0.83215 (11)0.0552 (3)
S20.02910 (14)0.04404 (10)0.71040 (10)0.0495 (3)
N10.0003 (5)0.2639 (3)0.7139 (3)0.0493 (9)
C20.0669 (5)0.1538 (4)0.7457 (4)0.0444 (9)
C30.0898 (7)0.3515 (4)0.7515 (5)0.0622 (13)
H310.01010.40180.76420.075*
H320.16790.30940.82170.075*
C310.1827 (11)0.4281 (7)0.6679 (7)0.108 (3)
H3110.24640.47920.69770.162*
H3120.25670.37830.65160.162*
H3130.10460.47590.60070.162*
C40.1701 (7)0.3015 (5)0.6450 (4)0.0614 (13)
H410.17860.38640.60020.074*
H420.19080.25990.59450.074*
C410.3023 (7)0.2765 (5)0.7144 (6)0.0741 (16)
H4110.28740.32210.76050.111*
H4120.41110.29840.66600.111*
H4130.29210.19300.76070.111*
C10.0953 (8)0.1310 (6)0.9533 (5)0.0725 (16)
O10.0344 (8)0.1591 (6)1.0281 (4)0.136 (3)
C110.4561 (6)0.1426 (4)0.8207 (5)0.0553 (12)
C1110.6106 (7)0.0813 (6)0.8438 (7)0.085 (2)
H1110.70440.11850.83140.127*
H1120.59350.00150.79480.127*
H1130.63200.08780.91990.127*
C120.3441 (7)0.1113 (4)0.7153 (5)0.0577 (13)
C1210.3589 (11)0.0154 (6)0.6065 (6)0.101 (3)
H1210.43670.04410.57450.151*
H1220.25160.00560.55630.151*
H1230.39780.05360.61930.151*
C130.2197 (6)0.1977 (4)0.7287 (4)0.0473 (10)
C1310.0838 (8)0.2060 (6)0.6387 (5)0.0763 (16)
H1310.01160.23550.66930.114*
H1320.05280.12840.58050.114*
H1330.12300.25950.60880.114*
C140.2549 (6)0.2752 (4)0.8414 (4)0.0465 (10)
C1410.1651 (8)0.3844 (5)0.8925 (5)0.0709 (15)
H1410.21010.45030.88010.106*
H1420.18020.40400.97130.106*
H1430.04810.36810.85870.106*
C150.4003 (6)0.2420 (4)0.8993 (4)0.0489 (10)
C1510.4882 (8)0.3100 (6)1.0180 (5)0.0828 (18)
H1510.58380.35761.01990.124*
H1520.52370.25511.05260.124*
H1530.41330.36101.05750.124*
S100.33933 (17)0.61785 (12)0.25494 (13)0.0638 (3)
O110.2804 (6)0.7264 (4)0.2498 (5)0.0915 (14)
O120.4915 (6)0.5873 (5)0.2171 (5)0.1015 (15)
O130.2149 (6)0.5216 (5)0.2183 (5)0.1008 (16)
C100.4027 (9)0.6548 (6)0.4022 (6)0.0805 (17)
F110.5204 (8)0.7454 (4)0.4510 (4)0.141 (2)
F120.2763 (9)0.6842 (7)0.4523 (5)0.159 (3)
F130.4650 (7)0.5644 (4)0.4261 (4)0.1174 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ir10.03992 (12)0.03982 (12)0.04199 (12)0.00010 (7)0.01340 (7)0.01420 (7)
S10.0446 (6)0.0529 (7)0.0731 (8)0.0051 (5)0.0008 (6)0.0365 (6)
S20.0432 (6)0.0484 (6)0.0554 (6)0.0009 (5)0.0034 (5)0.0218 (5)
N10.049 (2)0.043 (2)0.054 (2)0.0029 (16)0.0138 (17)0.0163 (17)
C20.044 (2)0.044 (2)0.046 (2)0.0012 (18)0.0130 (19)0.0165 (19)
C30.065 (3)0.045 (3)0.082 (4)0.001 (2)0.018 (3)0.029 (3)
C310.129 (7)0.091 (5)0.130 (7)0.058 (5)0.064 (6)0.053 (5)
C40.062 (3)0.048 (3)0.060 (3)0.010 (2)0.003 (2)0.010 (2)
C410.052 (3)0.066 (3)0.101 (4)0.002 (3)0.013 (3)0.029 (3)
C10.071 (4)0.081 (4)0.055 (3)0.023 (3)0.025 (3)0.009 (3)
O10.136 (5)0.171 (6)0.076 (3)0.044 (4)0.067 (3)0.003 (3)
C110.039 (2)0.051 (3)0.096 (4)0.007 (2)0.029 (2)0.044 (3)
C1110.053 (3)0.080 (4)0.156 (7)0.021 (3)0.046 (4)0.073 (4)
C120.070 (3)0.048 (3)0.070 (3)0.007 (2)0.044 (3)0.025 (2)
C1210.153 (7)0.067 (4)0.098 (5)0.017 (4)0.093 (5)0.017 (4)
C130.054 (3)0.045 (2)0.046 (2)0.0000 (19)0.015 (2)0.0189 (19)
C1310.088 (4)0.090 (4)0.059 (3)0.005 (3)0.005 (3)0.043 (3)
C140.045 (2)0.039 (2)0.057 (3)0.0066 (18)0.015 (2)0.0184 (19)
C1410.077 (4)0.050 (3)0.084 (4)0.022 (3)0.023 (3)0.020 (3)
C150.044 (2)0.042 (2)0.063 (3)0.0019 (19)0.008 (2)0.023 (2)
C1510.079 (4)0.071 (4)0.079 (4)0.019 (3)0.017 (3)0.024 (3)
S100.0569 (7)0.0605 (7)0.0832 (9)0.0009 (6)0.0147 (7)0.0383 (7)
O110.084 (3)0.087 (3)0.134 (4)0.017 (2)0.024 (3)0.076 (3)
O120.091 (3)0.093 (3)0.130 (4)0.016 (3)0.057 (3)0.038 (3)
O130.084 (3)0.098 (3)0.122 (4)0.030 (3)0.013 (3)0.061 (3)
C100.087 (4)0.070 (4)0.085 (4)0.010 (3)0.015 (4)0.032 (3)
F110.168 (5)0.085 (3)0.125 (4)0.021 (3)0.039 (4)0.027 (3)
F120.168 (6)0.234 (7)0.122 (4)0.084 (5)0.081 (4)0.095 (5)
F130.157 (4)0.089 (3)0.106 (3)0.026 (3)0.012 (3)0.058 (2)
Geometric parameters (Å, º) top
Ir1—C11.862 (5)C111—H1110.9600
Ir1—C122.202 (4)C111—H1120.9600
Ir1—C142.204 (4)C111—H1130.9600
Ir1—C152.214 (4)C12—C131.456 (7)
Ir1—C132.223 (4)C12—C1211.501 (8)
Ir1—C112.228 (4)C121—H1210.9600
Ir1—S12.3795 (12)C121—H1220.9600
Ir1—S22.3861 (14)C121—H1230.9600
S1—C21.717 (5)C13—C141.403 (6)
S2—C21.719 (4)C13—C1311.498 (7)
N1—C21.318 (6)C131—H1310.9600
N1—C41.473 (6)C131—H1320.9600
N1—C31.478 (6)C131—H1330.9600
C3—C311.496 (9)C14—C151.434 (6)
C3—H310.9700C14—C1411.514 (6)
C3—H320.9700C141—H1410.9600
C31—H3110.9600C141—H1420.9600
C31—H3120.9600C141—H1430.9600
C31—H3130.9600C15—C1511.498 (7)
C4—C411.515 (8)C151—H1510.9600
C4—H410.9700C151—H1520.9600
C4—H420.9700C151—H1530.9600
C41—H4110.9600S10—O131.415 (5)
C41—H4120.9600S10—O111.428 (4)
C41—H4130.9600S10—O121.433 (5)
C1—O11.135 (7)S10—C101.794 (7)
C11—C151.415 (7)C10—F121.318 (8)
C11—C121.426 (8)C10—F111.328 (8)
C11—C1111.512 (7)C10—F131.331 (7)
C1—Ir1—C12161.8 (2)C11—C111—H111109.5
C1—Ir1—C1499.2 (2)C11—C111—H112109.5
C12—Ir1—C1462.92 (17)H111—C111—H112109.5
C1—Ir1—C15101.0 (2)C11—C111—H113109.5
C12—Ir1—C1562.95 (19)H111—C111—H113109.5
C14—Ir1—C1537.86 (17)H112—C111—H113109.5
C1—Ir1—C13128.2 (3)C11—C12—C13107.5 (4)
C12—Ir1—C1338.41 (18)C11—C12—C121127.1 (6)
C14—Ir1—C1336.95 (17)C13—C12—C121125.1 (6)
C15—Ir1—C1362.87 (17)C11—C12—Ir172.2 (3)
C1—Ir1—C11132.6 (2)C13—C12—Ir171.6 (2)
C12—Ir1—C1137.5 (2)C121—C12—Ir1126.3 (4)
C14—Ir1—C1162.43 (16)C12—C121—H121109.5
C15—Ir1—C1137.13 (18)C12—C121—H122109.5
C13—Ir1—C1162.94 (18)H121—C121—H122109.5
C1—Ir1—S193.6 (2)C12—C121—H123109.5
C12—Ir1—S1102.11 (13)H121—C121—H123109.5
C14—Ir1—S1156.98 (12)H122—C121—H123109.5
C15—Ir1—S1120.83 (12)C14—C13—C12107.1 (4)
C13—Ir1—S1137.84 (12)C14—C13—C131126.1 (5)
C11—Ir1—S194.89 (12)C12—C13—C131126.7 (5)
C1—Ir1—S291.89 (18)C14—C13—Ir170.8 (2)
C12—Ir1—S2101.57 (16)C12—C13—Ir170.0 (2)
C14—Ir1—S2125.57 (12)C131—C13—Ir1126.2 (4)
C15—Ir1—S2160.25 (13)C13—C131—H131109.5
C13—Ir1—S297.39 (12)C13—C131—H132109.5
C11—Ir1—S2134.99 (16)H131—C131—H132109.5
S1—Ir1—S272.60 (4)C13—C131—H133109.5
C2—S1—Ir188.53 (15)H131—C131—H133109.5
C2—S2—Ir188.27 (16)H132—C131—H133109.5
C2—N1—C4120.9 (4)C13—C14—C15109.3 (4)
C2—N1—C3121.2 (4)C13—C14—C141125.8 (4)
C4—N1—C3117.8 (4)C15—C14—C141124.6 (4)
N1—C2—S1124.7 (3)C13—C14—Ir172.3 (2)
N1—C2—S2124.9 (4)C15—C14—Ir171.4 (2)
S1—C2—S2110.4 (2)C141—C14—Ir1127.1 (4)
N1—C3—C31111.9 (5)C14—C141—H141109.5
N1—C3—H31109.2C14—C141—H142109.5
C31—C3—H31109.2H141—C141—H142109.5
N1—C3—H32109.2C14—C141—H143109.5
C31—C3—H32109.2H141—C141—H143109.5
H31—C3—H32107.9H142—C141—H143109.5
C3—C31—H311109.5C11—C15—C14107.5 (4)
C3—C31—H312109.5C11—C15—C151126.4 (5)
H311—C31—H312109.5C14—C15—C151125.7 (5)
C3—C31—H313109.5C11—C15—Ir172.0 (3)
H311—C31—H313109.5C14—C15—Ir170.7 (3)
H312—C31—H313109.5C151—C15—Ir1128.3 (4)
N1—C4—C41112.5 (4)C15—C151—H151109.5
N1—C4—H41109.1C15—C151—H152109.5
C41—C4—H41109.1H151—C151—H152109.5
N1—C4—H42109.1C15—C151—H153109.5
C41—C4—H42109.1H151—C151—H153109.5
H41—C4—H42107.8H152—C151—H153109.5
C4—C41—H411109.5O13—S10—O11115.1 (3)
C4—C41—H412109.5O13—S10—O12114.9 (3)
H411—C41—H412109.5O11—S10—O12114.9 (3)
C4—C41—H413109.5O13—S10—C10104.1 (3)
H411—C41—H413109.5O11—S10—C10102.6 (3)
H412—C41—H413109.5O12—S10—C10102.7 (4)
O1—C1—Ir1176.8 (6)F12—C10—F11107.5 (7)
C15—C11—C12108.5 (4)F12—C10—F13106.3 (6)
C15—C11—C111125.8 (5)F11—C10—F13106.3 (6)
C12—C11—C111125.6 (5)F12—C10—S10111.7 (5)
C15—C11—Ir170.9 (3)F11—C10—S10112.2 (5)
C12—C11—Ir170.2 (3)F13—C10—S10112.5 (5)
C111—C11—Ir1125.7 (3)
C1—Ir1—S1—C287.8 (2)C15—Ir1—C13—C1437.4 (3)
C12—Ir1—S1—C2101.6 (2)C11—Ir1—C13—C1479.3 (3)
C14—Ir1—S1—C2148.3 (3)S1—Ir1—C13—C14144.4 (2)
C15—Ir1—S1—C2167.1 (2)S2—Ir1—C13—C14143.4 (2)
C13—Ir1—S1—C284.7 (2)C1—Ir1—C13—C12162.4 (3)
C11—Ir1—S1—C2138.9 (2)C14—Ir1—C13—C12117.2 (4)
S2—Ir1—S1—C23.07 (15)C15—Ir1—C13—C1279.8 (3)
C1—Ir1—S2—C290.1 (3)C11—Ir1—C13—C1237.9 (3)
C12—Ir1—S2—C2102.3 (2)S1—Ir1—C13—C1227.1 (4)
C14—Ir1—S2—C2167.1 (2)S2—Ir1—C13—C1299.3 (3)
C15—Ir1—S2—C2138.8 (4)C1—Ir1—C13—C13176.1 (5)
C13—Ir1—S2—C2141.02 (19)C12—Ir1—C13—C131121.5 (6)
C11—Ir1—S2—C282.3 (2)C14—Ir1—C13—C131121.3 (6)
S1—Ir1—S2—C23.06 (15)C15—Ir1—C13—C131158.7 (5)
C4—N1—C2—S1176.2 (3)C11—Ir1—C13—C131159.4 (5)
C3—N1—C2—S10.2 (6)S1—Ir1—C13—C13194.4 (5)
C4—N1—C2—S21.5 (6)S2—Ir1—C13—C13122.2 (5)
C3—N1—C2—S2177.8 (4)C12—C13—C14—C151.3 (5)
Ir1—S1—C2—N1173.6 (4)C131—C13—C14—C15176.4 (5)
Ir1—S1—C2—S24.3 (2)Ir1—C13—C14—C1562.2 (3)
Ir1—S2—C2—N1173.6 (4)C12—C13—C14—C141175.6 (5)
Ir1—S2—C2—S14.3 (2)C131—C13—C14—C1412.1 (8)
C2—N1—C3—C3195.8 (6)Ir1—C13—C14—C141123.4 (5)
C4—N1—C3—C3187.7 (6)C12—C13—C14—Ir160.9 (3)
C2—N1—C4—C4186.9 (6)C131—C13—C14—Ir1121.4 (5)
C3—N1—C4—C4189.6 (5)C1—Ir1—C14—C13145.6 (3)
C12—Ir1—C1—O17 (13)C12—Ir1—C14—C1338.3 (3)
C14—Ir1—C1—O118 (13)C15—Ir1—C14—C13118.3 (4)
C15—Ir1—C1—O120 (13)C11—Ir1—C14—C1380.8 (3)
C13—Ir1—C1—O144 (13)S1—Ir1—C14—C1391.4 (4)
C11—Ir1—C1—O143 (13)S2—Ir1—C14—C1346.6 (3)
S1—Ir1—C1—O1143 (13)C1—Ir1—C14—C1596.1 (3)
S2—Ir1—C1—O1145 (13)C12—Ir1—C14—C1579.9 (3)
C1—Ir1—C11—C1538.2 (4)C13—Ir1—C14—C15118.3 (4)
C12—Ir1—C11—C15118.8 (4)C11—Ir1—C14—C1537.5 (3)
C14—Ir1—C11—C1538.2 (3)S1—Ir1—C14—C1526.9 (5)
C13—Ir1—C11—C1580.0 (3)S2—Ir1—C14—C15164.9 (2)
S1—Ir1—C11—C15137.6 (3)C1—Ir1—C14—C14123.7 (5)
S2—Ir1—C11—C15152.2 (2)C12—Ir1—C14—C141160.2 (5)
C1—Ir1—C11—C12157.0 (4)C15—Ir1—C14—C141119.8 (6)
C14—Ir1—C11—C1280.6 (3)C13—Ir1—C14—C141121.9 (6)
C15—Ir1—C11—C12118.8 (4)C11—Ir1—C14—C141157.3 (5)
C13—Ir1—C11—C1238.8 (3)S1—Ir1—C14—C141146.7 (4)
S1—Ir1—C11—C12103.5 (3)S2—Ir1—C14—C14175.3 (5)
S2—Ir1—C11—C1233.3 (3)C12—C11—C15—C141.7 (5)
C1—Ir1—C11—C11182.7 (6)C111—C11—C15—C14177.0 (4)
C12—Ir1—C11—C111120.3 (7)Ir1—C11—C15—C1462.1 (3)
C14—Ir1—C11—C111159.1 (6)C12—C11—C15—C151174.8 (5)
C15—Ir1—C11—C111120.9 (7)C111—C11—C15—C1513.9 (8)
C13—Ir1—C11—C111159.1 (6)Ir1—C11—C15—C151124.8 (5)
S1—Ir1—C11—C11116.7 (5)C12—C11—C15—Ir160.4 (3)
S2—Ir1—C11—C11186.9 (6)C111—C11—C15—Ir1120.8 (5)
C15—C11—C12—C132.5 (5)C13—C14—C15—C110.2 (5)
C111—C11—C12—C13176.3 (4)C141—C14—C15—C11174.2 (5)
Ir1—C11—C12—C1363.3 (3)Ir1—C14—C15—C1163.0 (3)
C15—C11—C12—C121176.7 (5)C13—C14—C15—C151173.4 (5)
C111—C11—C12—C1212.1 (8)C141—C14—C15—C1511.0 (8)
Ir1—C11—C12—C121122.5 (5)Ir1—C14—C15—C151123.9 (5)
C15—C11—C12—Ir160.8 (3)C13—C14—C15—Ir162.7 (3)
C111—C11—C12—Ir1120.4 (5)C141—C14—C15—Ir1122.8 (5)
C1—Ir1—C12—C1166.6 (9)C1—Ir1—C15—C11152.4 (3)
C14—Ir1—C12—C1179.2 (3)C12—Ir1—C15—C1136.8 (3)
C15—Ir1—C12—C1136.4 (3)C14—Ir1—C15—C11116.7 (4)
C13—Ir1—C12—C11116.1 (4)C13—Ir1—C15—C1180.2 (3)
S1—Ir1—C12—C1182.2 (3)S1—Ir1—C15—C1151.4 (3)
S2—Ir1—C12—C11156.6 (2)S2—Ir1—C15—C1177.7 (5)
C1—Ir1—C12—C1349.5 (9)C1—Ir1—C15—C1490.9 (3)
C14—Ir1—C12—C1336.9 (3)C12—Ir1—C15—C1479.9 (3)
C15—Ir1—C12—C1379.6 (3)C13—Ir1—C15—C1436.5 (3)
C11—Ir1—C12—C13116.1 (4)C11—Ir1—C15—C14116.7 (4)
S1—Ir1—C12—C13161.8 (3)S1—Ir1—C15—C14168.1 (2)
S2—Ir1—C12—C1387.3 (3)S2—Ir1—C15—C1439.0 (5)
C1—Ir1—C12—C121169.9 (8)C1—Ir1—C15—C15129.8 (5)
C14—Ir1—C12—C121157.4 (7)C12—Ir1—C15—C151159.4 (5)
C15—Ir1—C12—C121159.9 (7)C14—Ir1—C15—C151120.7 (6)
C13—Ir1—C12—C121120.5 (7)C13—Ir1—C15—C151157.2 (5)
C11—Ir1—C12—C121123.5 (7)C11—Ir1—C15—C151122.6 (6)
S1—Ir1—C12—C12141.3 (6)S1—Ir1—C15—C15171.2 (5)
S2—Ir1—C12—C12133.2 (6)S2—Ir1—C15—C151159.7 (4)
C11—C12—C13—C142.3 (5)O13—S10—C10—F1258.9 (6)
C121—C12—C13—C14176.6 (5)O11—S10—C10—F1261.4 (6)
Ir1—C12—C13—C1461.4 (3)O12—S10—C10—F12179.1 (6)
C11—C12—C13—C131175.4 (5)O13—S10—C10—F11179.7 (5)
C121—C12—C13—C1311.1 (8)O11—S10—C10—F1159.4 (6)
Ir1—C12—C13—C131120.9 (5)O12—S10—C10—F1160.2 (6)
C11—C12—C13—Ir163.8 (3)O13—S10—C10—F1360.5 (6)
C121—C12—C13—Ir1121.9 (5)O11—S10—C10—F13179.2 (5)
C1—Ir1—C13—C1445.2 (4)O12—S10—C10—F1359.6 (6)
C12—Ir1—C13—C14117.2 (4)
 

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