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Acta Cryst. (2012). E68, m1537    [ doi:10.1107/S1600536812045072 ]

Tetrakis(triphenylarsane-[kappa]As)silver(I) trifluoroacetate hemihydrate methanol hemisolvate

S. W. Ng

Abstract top

The AgI atom in the title hydrated solvated salt, [Ag(C18H15As)4](CF3CO2)·0.5CH3OH·0.5H2O, is coordinated by four As atoms from triphenylarsane ligands in a distorted tetrahedral geometry. In the crystal, O-H...O hydrogen bonding occurs between carboxylate groups of anions and lattice solvent molecules. Of the four triphenylarsane ligands in the Ag complex cation, two each have an equally disordered phenyl ring while the trifluoroacetate anion is disordered over two positions with respect to the lattice methanol and water molecules which both show half-occupyncy. The crystal studied was a non-merohedral twin with a 13.6 (1)% contribution of the minor twin component.

Comment top

Silver trifluoroacetate reacts with triphenylphosphine in a 1:4 stoichiometry in ethanol to from the salt, [Ag(C18H15P)4](CF3CO2).C2H5OH (Ng, 2012). The corresponding reaction with triphenylarsane in methanol medium yielded [Ag(C18H15As)4](CF3CO2).0.5H2O.0.5CH3OH, which has somewhat different solvent molecules (Scheme I, Fig. 1). Four arsane ligands bind to the metal atom; the trifluoacetate anion does not engaged in coordination, and is instead disordered with respect to methanol and water molecules. The disorder is such that the anion occupies two positions, as does the two solvent molecules (Fig. 2). The anion and solvent are engaged in weak hydrogen bonding (Table 1).

Related literature top

For a related compound [Ag(C18H15P)4](CF3CO2).C2H5OH, see: Ng (2012).

Experimental top

Silver trifluoroacetate (1 mmol) and triphenylarsane (4 mmol) were heated in methanol (25 ml) until the reactants dissolved completely. Colorless crystals were isolated from the filtered solution after several days.

Refinement top

Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.98 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5U(C).

The trifluoroacetate ion is disordered over two positions; as the occupancy refined to nearly 50%, the disorder was then fixed as a 1:1 type of disorder. The C–O distances were restrained to 1.25±0.01 Å, the C–C distances to 1.50±0.01 Å and the C–F distances to 1.35±0.01 Å. Additionally, the O···O distances were restrained to 2.17±0.01 Å and the F···F distances to 2.21±0.01 Å.

One half-occupancy trifluoroacetate portion is hydrogen bonded to a half-occupancy water molecule whereas the other half-occupancy portion is hydrogen bonded to a half-occupancy methanol molecule. For the methanol molecule, the C–O distance was restrained to 1.45±0.01 Å. The H atoms were placed in calculated positions (O–H 0.84 Å) and their temperature factors tied by a factor of 1.5 times.

The anisotropic temperature factors of the disordered atoms were restrained to be nearly isotropic.

Of the four triphenylarsane groups, two have each a disordered phenyl ring. The disorder was also treated as a 1:1 type of disorder. Pairs of As—C distances were restrained to within 0.01 Å of each other. The aromatic rings were refined as a rigid hexagon of 1.39 Å sides, and the temperature factors of the primed atoms were set to those of the unprimed ones. The anisotropic temperature factors were also restrained to be nearly isotropic.

The (1 0 0), (0 1 0) and (0 - 1 1) reflections that were affected by the beamstop as well as (-1 4 12) and (-3 8 1) were omitted.

The final difference Fourier map was featureless except for a peak at 0.88 Å from C74.

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of [Ag(C18H15As)4](CF3CO2).0.5H2O.0.5CH3OH at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. The disorder is not shown, and only selected atoms are labeled owing to crowding.
[Figure 2] Fig. 2. Disorder in the anion/solvent.
Tetrakis(triphenylarsane-κAs)silver(I) trifluoroacetate hemihydrate methanol hemisolvate top
Crystal data top
[Ag(C18H15As)4](C2F3O2)·0.5CH4O·0.5H2OZ = 2
Mr = 1470.80F(000) = 1480
Triclinic, P1Dx = 1.526 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.9069 (2) ÅCell parameters from 4258 reflections
b = 14.5530 (3) Åθ = 2.2–25.5°
c = 18.5573 (4) ŵ = 2.42 mm−1
α = 88.893 (2)°T = 100 K
β = 85.782 (1)°Prism, colorless
γ = 86.808 (1)°0.22 × 0.17 × 0.11 mm
V = 3201.57 (11) Å3
Data collection top
Bruker SMART APEX
diffractometer		14449 independent reflections
Radiation source: fine-focus sealed tube10289 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.058
ω scansθmax = 27.5°, θmin = 1.1°
Absorption correction: multi-scan
(TWINABS; Bruker, 2009)		h = −15→15
Tmin = 0.618, Tmax = 0.776k = −18→18
48380 measured reflectionsl = 0→24
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.111H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0263P)2 + 7.5548P]
where P = (Fo2 + 2Fc2)/3
14449 reflections(Δ/σ)max = 0.001
838 parametersΔρmax = 1.08 e Å−3
197 restraintsΔρmin = −0.56 e Å−3
Crystal data top
[Ag(C18H15As)4](C2F3O2)·0.5CH4O·0.5H2Oγ = 86.808 (1)°
Mr = 1470.80V = 3201.57 (11) Å3
Triclinic, P1Z = 2
a = 11.9069 (2) ÅMo Kα radiation
b = 14.5530 (3) ŵ = 2.42 mm−1
c = 18.5573 (4) ÅT = 100 K
α = 88.893 (2)°0.22 × 0.17 × 0.11 mm
β = 85.782 (1)°
Data collection top
Bruker SMART APEX
diffractometer		14449 independent reflections
Absorption correction: multi-scan
(TWINABS; Bruker, 2009)		10289 reflections with I > 2σ(I)
Tmin = 0.618, Tmax = 0.776Rint = 0.058
48380 measured reflectionsθmax = 27.5°
Refinement top
R[F2 > 2σ(F2)] = 0.048H-atom parameters constrained
wR(F2) = 0.111Δρmax = 1.08 e Å−3
S = 1.03Δρmin = −0.56 e Å−3
14449 reflectionsAbsolute structure: ?
838 parametersFlack parameter: ?
197 restraintsRogers parameter: ?
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag10.49421 (3)0.25589 (3)0.24626 (2)0.01910 (9)
As10.56948 (4)0.42096 (3)0.21599 (3)0.02081 (12)
As20.33767 (4)0.21756 (3)0.15901 (3)0.01929 (12)
As30.40995 (5)0.25168 (4)0.38150 (3)0.02716 (13)
As40.66244 (4)0.12921 (4)0.23054 (3)0.02178 (12)
C10.6503 (8)0.4230 (7)0.1228 (3)0.0268 (14)0.50
C20.7331 (8)0.3536 (7)0.1076 (5)0.024 (2)0.50
H20.75070.30910.14380.029*0.50
C30.7901 (7)0.3493 (6)0.0396 (6)0.049 (3)0.50
H3A0.84680.30180.02920.059*0.50
C40.7643 (8)0.4144 (7)−0.0133 (4)0.051 (3)0.50
H40.80330.4114−0.05990.061*0.50
C50.6815 (9)0.4838 (6)0.0018 (4)0.062 (3)0.50
H50.66390.5283−0.03440.075*0.50
C60.6245 (7)0.4881 (6)0.0698 (5)0.036 (2)0.50
H60.56780.53560.08020.043*0.50
C1'0.6480 (8)0.4370 (7)0.1207 (3)0.0268 (14)0.50
C2'0.7066 (9)0.3600 (6)0.0906 (5)0.024 (2)0.50
H2'0.69960.30140.11340.029*0.50
C3'0.7754 (8)0.3689 (6)0.0273 (6)0.049 (3)0.50
H3'0.81540.31620.00680.059*0.50
C4'0.7856 (8)0.4547 (7)−0.0060 (4)0.051 (3)0.50
H4'0.83260.4607−0.04920.061*0.50
C5'0.7270 (8)0.5317 (6)0.0241 (4)0.062 (3)0.50
H5'0.73400.59030.00130.075*0.50
C6'0.6582 (7)0.5228 (6)0.0874 (4)0.036 (2)0.50
H6'0.61820.57540.10790.043*0.50
C70.6762 (4)0.4713 (3)0.2772 (3)0.0218 (11)
C80.6637 (5)0.4545 (4)0.3509 (3)0.0281 (12)
H80.60780.41500.37030.034*
C90.7330 (5)0.4955 (4)0.3966 (3)0.0407 (15)
H90.72440.48390.44720.049*
C100.8142 (5)0.5529 (4)0.3686 (3)0.0391 (15)
H100.86010.58220.40010.047*
C110.8287 (5)0.5677 (4)0.2952 (4)0.0385 (15)
H110.88640.60560.27580.046*
C120.7594 (4)0.5276 (4)0.2496 (3)0.0292 (12)
H120.76910.53880.19900.035*
C130.4587 (4)0.5245 (3)0.2146 (3)0.0232 (11)
C140.4769 (5)0.6085 (4)0.2426 (3)0.0294 (12)
H140.54800.61910.26010.035*
C150.3922 (5)0.6783 (4)0.2456 (3)0.0339 (13)
H150.40550.73590.26550.041*
C160.2898 (5)0.6643 (4)0.2199 (3)0.0339 (14)
H160.23240.71230.22130.041*
C170.2709 (6)0.5806 (5)0.1920 (4)0.055 (2)
H170.19920.57000.17530.066*
C180.3557 (5)0.5109 (4)0.1881 (4)0.0480 (18)
H180.34280.45390.16700.058*
C190.2016 (6)0.2973 (6)0.1538 (7)0.0200 (11)0.50
C200.1681 (9)0.3572 (7)0.2097 (6)0.032 (3)0.50
H200.21050.35820.25110.039*0.50
C210.0725 (10)0.4158 (7)0.2051 (6)0.037 (3)0.50
H210.04960.45680.24330.044*0.50
C220.0105 (7)0.4144 (7)0.1446 (7)0.0364 (17)0.50
H22−0.05490.45440.14150.044*0.50
C230.0439 (7)0.3544 (6)0.0887 (6)0.035 (3)0.50
H230.00150.35350.04740.042*0.50
C240.1395 (7)0.2959 (5)0.0933 (6)0.029 (2)0.50
H240.16240.25490.05510.034*0.50
C19'0.2035 (6)0.2995 (6)0.1534 (7)0.0200 (11)0.50
C20'0.1488 (10)0.3303 (7)0.2179 (6)0.032 (3)0.50
H20B0.17490.30890.26270.039*0.50
C21'0.0558 (10)0.3923 (8)0.2168 (6)0.037 (3)0.50
H21B0.01840.41340.26090.044*0.50
C22'0.0176 (7)0.4236 (7)0.1512 (7)0.0364 (17)0.50
H22B−0.04590.46600.15050.044*0.50
C23'0.0724 (8)0.3928 (6)0.0867 (6)0.035 (3)0.50
H23B0.04630.41410.04190.042*0.50
C24'0.1653 (7)0.3307 (6)0.0878 (6)0.029 (2)0.50
H24B0.20280.30970.04370.034*0.50
C250.2712 (4)0.0995 (3)0.1782 (3)0.0224 (11)
C260.3435 (4)0.0212 (4)0.1775 (3)0.0286 (12)
H260.42210.02630.16670.034*
C270.3007 (5)−0.0643 (4)0.1927 (3)0.0363 (14)
H270.3502−0.11790.19180.044*
C280.1862 (5)−0.0720 (4)0.2091 (3)0.0326 (13)
H280.1569−0.13040.22000.039*
C290.1156 (5)0.0059 (4)0.2094 (3)0.0369 (14)
H290.03690.00060.21980.044*
C300.1568 (4)0.0921 (4)0.1948 (3)0.0283 (12)
H300.10710.14550.19610.034*
C310.3875 (4)0.2082 (3)0.0575 (3)0.0208 (11)
C320.3434 (5)0.1457 (4)0.0127 (3)0.0311 (13)
H320.29070.10360.03240.037*
C330.3763 (6)0.1448 (4)−0.0608 (3)0.0424 (16)
H330.34630.1020−0.09120.051*
C340.4523 (6)0.2060 (4)−0.0894 (3)0.0411 (16)
H340.47390.2058−0.13980.049*
C350.4975 (5)0.2677 (4)−0.0452 (3)0.0387 (15)
H350.55040.3094−0.06520.046*
C360.4658 (4)0.2687 (4)0.0281 (3)0.0312 (13)
H360.49750.31070.05830.037*
C370.3449 (5)0.1394 (4)0.4188 (3)0.0340 (13)
C380.2712 (5)0.0977 (4)0.3775 (3)0.0366 (14)
H380.25530.12320.33160.044*
C390.2206 (6)0.0196 (5)0.4024 (4)0.0476 (17)
H390.1690−0.00830.37410.057*
C400.2444 (7)−0.0185 (6)0.4683 (4)0.072 (3)
H400.2106−0.07300.48560.086*
C410.3192 (8)0.0245 (6)0.5094 (5)0.081 (3)
H410.3347−0.00070.55550.098*
C420.3707 (6)0.1018 (5)0.4851 (4)0.056 (2)
H420.42310.12920.51310.067*
C430.5097 (5)0.2796 (4)0.4557 (3)0.0286 (12)
C440.6176 (5)0.2395 (5)0.4512 (3)0.0444 (16)
H440.64100.19760.41380.053*
C450.6922 (6)0.2611 (5)0.5024 (3)0.0473 (17)
H450.76660.23370.49950.057*
C460.6592 (5)0.3214 (5)0.5567 (4)0.0441 (16)
H460.71000.33470.59180.053*
C470.5533 (6)0.3620 (5)0.5601 (4)0.0517 (18)
H470.53070.40470.59720.062*
C480.4776 (5)0.3412 (4)0.5096 (3)0.0406 (15)
H480.40360.36970.51250.049*
C490.2838 (5)0.3400 (4)0.4013 (3)0.0303 (13)
C500.1901 (5)0.3177 (4)0.4462 (3)0.0372 (14)
H500.18880.25950.47030.045*
C510.0992 (5)0.3804 (5)0.4558 (4)0.0477 (17)
H510.03520.36540.48650.057*
C520.1010 (6)0.4646 (5)0.4210 (3)0.051 (2)
H520.03800.50740.42750.061*
C530.1939 (6)0.4875 (5)0.3765 (3)0.0486 (18)
H530.19470.54580.35260.058*
C540.2865 (6)0.4246 (4)0.3669 (3)0.0403 (15)
H540.35090.44020.33680.048*
C550.7410 (4)0.1122 (4)0.1358 (3)0.0250 (11)
C560.6771 (5)0.1027 (4)0.0766 (3)0.0302 (13)
H560.59720.10330.08340.036*
C570.7298 (5)0.0923 (4)0.0079 (3)0.0389 (15)
H570.68550.0872−0.03230.047*
C580.8449 (6)0.0894 (4)−0.0029 (3)0.0444 (16)
H580.88040.0809−0.05000.053*
C590.9097 (5)0.0989 (5)0.0559 (3)0.0486 (18)
H590.98960.09730.04880.058*
C600.8584 (5)0.1105 (5)0.1241 (3)0.0403 (15)
H600.90320.11760.16370.048*
C610.7870 (4)0.1530 (4)0.2891 (3)0.0253 (11)
C620.8187 (5)0.2417 (4)0.2932 (4)0.054 (2)
H620.78260.28940.26620.065*
C630.9038 (6)0.2618 (5)0.3370 (5)0.064 (2)
H630.92350.32380.34110.077*
C640.9581 (5)0.1952 (5)0.3733 (3)0.0463 (17)
H641.01810.20950.40150.056*
C650.9280 (5)0.1078 (6)0.3700 (4)0.058 (2)
H650.96590.06080.39670.070*
C660.8416 (5)0.0853 (5)0.3276 (3)0.0426 (17)
H660.82070.02340.32560.051*
C670.6337 (5)0.0041 (4)0.2601 (3)0.0305 (13)
C680.7066 (6)−0.0709 (4)0.2393 (3)0.0425 (16)
H680.7694−0.06270.20560.051*
C690.6860 (8)−0.1578 (4)0.2685 (4)0.060 (2)
H690.7362−0.20870.25530.072*
C700.5940 (7)−0.1710 (5)0.3161 (4)0.057 (2)
H700.5815−0.23050.33590.068*
C710.5210 (6)−0.0990 (5)0.3348 (4)0.0523 (19)
H710.4565−0.10870.36680.063*
C720.5402 (5)−0.0107 (4)0.3072 (3)0.0393 (15)
H720.48890.03940.32080.047*
F11.0254 (7)0.8237 (6)0.4465 (4)0.080 (3)0.50
F20.8632 (5)0.8126 (5)0.4040 (4)0.056 (2)0.50
F30.9807 (6)0.9013 (5)0.3532 (4)0.053 (2)0.50
O11.0064 (8)0.7603 (7)0.2714 (5)0.054 (3)0.50
O21.0643 (10)0.6786 (7)0.3636 (6)0.048 (3)0.50
O31.0074 (10)0.6640 (8)0.1419 (7)0.084 (4)0.50
H31.01000.69020.18160.127*0.50
C731.0177 (9)0.7479 (7)0.3359 (5)0.045 (3)0.50
C740.9723 (7)0.8223 (6)0.3867 (4)0.030 (3)0.50
C750.934 (2)0.7209 (18)0.1002 (14)0.114 (9)0.50
H75A0.88190.75830.13270.171*0.50
H75B0.89040.68200.07130.171*0.50
H75C0.97840.76140.06810.171*0.50
F1'1.0116 (10)0.7034 (9)0.0846 (9)0.152 (6)0.50
F2'0.9035 (8)0.8315 (6)0.0905 (5)0.090 (3)0.50
F3'0.8372 (8)0.7000 (7)0.1304 (5)0.090 (3)0.50
O1'1.0273 (8)0.7022 (7)0.2278 (7)0.068 (3)0.50
O2'0.9423 (8)0.8392 (6)0.2283 (6)0.071 (3)0.50
O1W'1.056 (2)0.7100 (17)0.3790 (13)0.167 (11)0.50
H1W11.04670.70700.33460.250*0.50
H2W21.08920.75770.38690.250*0.50
C73'0.9718 (9)0.7654 (7)0.1983 (6)0.046 (3)0.50
C74'0.9304 (9)0.7507 (7)0.1247 (6)0.058 (5)0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.02018 (18)0.0189 (2)0.01837 (19)−0.00101 (15)−0.00220 (14)−0.00194 (14)
As10.0250 (3)0.0170 (3)0.0210 (3)−0.0026 (2)−0.0035 (2)−0.0024 (2)
As20.0182 (2)0.0200 (3)0.0202 (3)−0.0031 (2)−0.0033 (2)−0.0019 (2)
As30.0369 (3)0.0274 (3)0.0162 (3)0.0014 (2)0.0018 (2)0.0005 (2)
As40.0208 (3)0.0198 (3)0.0250 (3)0.0025 (2)−0.0044 (2)−0.0053 (2)
C10.027 (3)0.025 (4)0.028 (3)0.002 (3)−0.002 (2)−0.005 (2)
C20.014 (5)0.033 (4)0.028 (5)−0.001 (3)−0.011 (4)−0.012 (3)
C30.037 (4)0.060 (6)0.050 (5)−0.003 (4)0.005 (4)−0.023 (5)
C40.061 (6)0.061 (8)0.030 (4)−0.005 (6)0.005 (4)−0.018 (5)
C50.072 (7)0.076 (7)0.036 (5)0.003 (5)0.008 (5)0.018 (5)
C60.049 (5)0.033 (6)0.025 (4)0.000 (4)0.002 (4)0.000 (4)
C1'0.027 (3)0.025 (4)0.028 (3)0.002 (3)−0.002 (2)−0.005 (2)
C2'0.014 (5)0.033 (4)0.028 (5)−0.001 (3)−0.011 (4)−0.012 (3)
C3'0.037 (4)0.060 (6)0.050 (5)−0.003 (4)0.005 (4)−0.023 (5)
C4'0.061 (6)0.061 (8)0.030 (4)−0.005 (6)0.005 (4)−0.018 (5)
C5'0.072 (7)0.076 (7)0.036 (5)0.003 (5)0.008 (5)0.018 (5)
C6'0.049 (5)0.033 (6)0.025 (4)0.000 (4)0.002 (4)0.000 (4)
C70.027 (3)0.018 (3)0.020 (3)0.002 (2)−0.003 (2)−0.003 (2)
C80.039 (3)0.023 (3)0.022 (3)0.001 (2)−0.004 (2)−0.001 (2)
C90.059 (4)0.034 (3)0.030 (3)0.012 (3)−0.014 (3)−0.007 (3)
C100.038 (3)0.032 (3)0.050 (4)0.007 (3)−0.022 (3)−0.023 (3)
C110.026 (3)0.036 (4)0.055 (4)−0.003 (3)−0.005 (3)−0.020 (3)
C120.026 (3)0.024 (3)0.038 (3)−0.006 (2)0.002 (2)−0.006 (2)
C130.028 (3)0.020 (3)0.022 (3)−0.003 (2)−0.003 (2)0.003 (2)
C140.028 (3)0.023 (3)0.038 (3)−0.005 (2)−0.005 (2)0.001 (2)
C150.040 (3)0.022 (3)0.040 (3)0.000 (3)−0.006 (3)−0.007 (3)
C160.039 (3)0.030 (3)0.031 (3)0.011 (3)−0.005 (3)−0.001 (3)
C170.047 (4)0.042 (4)0.081 (5)0.009 (3)−0.036 (4)−0.014 (4)
C180.043 (4)0.028 (3)0.077 (5)0.008 (3)−0.031 (4)−0.021 (3)
C190.019 (2)0.020 (2)0.022 (3)−0.008 (2)0.000 (2)0.000 (2)
C200.029 (5)0.030 (7)0.038 (4)0.001 (4)−0.003 (4)−0.004 (4)
C210.037 (5)0.034 (6)0.036 (5)0.003 (4)0.007 (4)−0.005 (4)
C220.025 (3)0.036 (4)0.047 (4)0.007 (3)0.001 (3)−0.004 (3)
C230.028 (5)0.038 (6)0.040 (4)0.006 (4)−0.008 (4)−0.006 (5)
C240.026 (5)0.026 (6)0.034 (4)0.002 (4)−0.006 (3)−0.005 (5)
C19'0.019 (2)0.020 (2)0.022 (3)−0.008 (2)0.000 (2)0.000 (2)
C20'0.029 (5)0.030 (7)0.038 (4)0.001 (4)−0.003 (4)−0.004 (4)
C21'0.037 (5)0.034 (6)0.036 (5)0.003 (4)0.007 (4)−0.005 (4)
C22'0.025 (3)0.036 (4)0.047 (4)0.007 (3)0.001 (3)−0.004 (3)
C23'0.028 (5)0.038 (6)0.040 (4)0.006 (4)−0.008 (4)−0.006 (5)
C24'0.026 (5)0.026 (6)0.034 (4)0.002 (4)−0.006 (3)−0.005 (5)
C250.024 (3)0.025 (3)0.018 (3)0.001 (2)−0.005 (2)−0.001 (2)
C260.021 (3)0.030 (3)0.033 (3)0.001 (2)0.003 (2)0.007 (2)
C270.037 (3)0.022 (3)0.048 (4)0.005 (3)0.005 (3)0.006 (3)
C280.042 (3)0.021 (3)0.036 (3)−0.005 (3)−0.001 (3)0.003 (2)
C290.030 (3)0.032 (3)0.051 (4)−0.009 (3)−0.010 (3)0.008 (3)
C300.021 (3)0.025 (3)0.040 (3)−0.005 (2)−0.004 (2)0.008 (2)
C310.019 (2)0.019 (3)0.024 (3)0.002 (2)−0.004 (2)0.001 (2)
C320.042 (3)0.028 (3)0.022 (3)0.001 (3)0.000 (2)0.001 (2)
C330.071 (5)0.033 (3)0.022 (3)0.005 (3)−0.001 (3)−0.012 (3)
C340.062 (4)0.038 (4)0.018 (3)0.014 (3)0.013 (3)0.003 (3)
C350.034 (3)0.042 (4)0.036 (3)0.004 (3)0.010 (3)0.014 (3)
C360.029 (3)0.030 (3)0.034 (3)−0.004 (2)−0.001 (2)0.005 (3)
C370.039 (3)0.038 (3)0.025 (3)−0.001 (3)−0.001 (2)0.002 (3)
C380.034 (3)0.043 (4)0.033 (3)−0.003 (3)−0.003 (3)0.001 (3)
C390.052 (4)0.046 (4)0.048 (4)−0.016 (3)−0.012 (3)−0.003 (3)
C400.087 (6)0.061 (5)0.074 (6)−0.036 (5)−0.029 (5)0.037 (4)
C410.119 (7)0.067 (6)0.068 (6)−0.044 (5)−0.050 (5)0.039 (5)
C420.075 (5)0.056 (5)0.040 (4)−0.034 (4)−0.024 (4)0.025 (3)
C430.036 (3)0.030 (3)0.018 (3)−0.001 (2)0.006 (2)0.004 (2)
C440.049 (4)0.046 (4)0.037 (4)0.012 (3)−0.005 (3)−0.009 (3)
C450.048 (4)0.054 (4)0.039 (4)0.009 (3)−0.006 (3)0.000 (3)
C460.040 (4)0.046 (4)0.049 (4)−0.010 (3)−0.011 (3)0.004 (3)
C470.049 (4)0.060 (5)0.048 (4)0.004 (4)−0.010 (3)−0.028 (4)
C480.039 (3)0.050 (4)0.032 (3)0.005 (3)−0.003 (3)−0.009 (3)
C490.038 (3)0.038 (3)0.015 (3)0.001 (3)−0.003 (2)−0.005 (2)
C500.041 (3)0.048 (4)0.023 (3)0.003 (3)−0.006 (3)−0.013 (3)
C510.033 (3)0.071 (5)0.039 (4)0.002 (3)−0.002 (3)−0.024 (4)
C520.047 (4)0.072 (5)0.034 (4)0.026 (4)−0.018 (3)−0.036 (4)
C530.072 (5)0.043 (4)0.032 (3)0.018 (4)−0.018 (3)−0.012 (3)
C540.059 (4)0.040 (4)0.020 (3)0.014 (3)−0.001 (3)−0.006 (3)
C550.023 (3)0.023 (3)0.029 (3)0.008 (2)−0.004 (2)−0.006 (2)
C560.031 (3)0.026 (3)0.035 (3)0.001 (2)−0.009 (2)−0.006 (2)
C570.051 (4)0.034 (3)0.033 (3)0.005 (3)−0.011 (3)−0.012 (3)
C580.053 (4)0.048 (4)0.030 (3)0.016 (3)0.003 (3)−0.012 (3)
C590.030 (3)0.072 (5)0.041 (4)0.016 (3)0.004 (3)−0.015 (4)
C600.028 (3)0.057 (4)0.035 (3)0.008 (3)−0.005 (3)−0.010 (3)
C610.020 (3)0.030 (3)0.025 (3)0.001 (2)0.001 (2)−0.006 (2)
C620.043 (4)0.034 (4)0.089 (6)0.007 (3)−0.034 (4)−0.018 (4)
C630.047 (4)0.050 (5)0.100 (6)0.000 (4)−0.033 (4)−0.038 (4)
C640.025 (3)0.075 (5)0.042 (4)−0.012 (3)−0.008 (3)−0.018 (4)
C650.044 (4)0.073 (5)0.061 (5)−0.016 (4)−0.030 (4)0.021 (4)
C660.033 (3)0.048 (4)0.051 (4)−0.016 (3)−0.021 (3)0.018 (3)
C670.037 (3)0.033 (3)0.024 (3)−0.006 (3)−0.011 (2)−0.005 (2)
C680.072 (5)0.026 (3)0.029 (3)0.010 (3)−0.008 (3)−0.004 (3)
C690.119 (7)0.025 (3)0.036 (4)0.013 (4)−0.024 (4)−0.007 (3)
C700.107 (7)0.029 (4)0.040 (4)−0.024 (4)−0.029 (4)0.006 (3)
C710.065 (5)0.046 (4)0.050 (4)−0.026 (4)−0.019 (4)0.009 (3)
C720.037 (3)0.031 (3)0.052 (4)−0.007 (3)−0.014 (3)0.001 (3)
F10.090 (6)0.083 (6)0.069 (5)0.002 (5)−0.024 (5)−0.031 (5)
F20.046 (4)0.081 (5)0.037 (4)0.019 (4)0.014 (3)0.000 (4)
F30.047 (4)0.049 (4)0.062 (5)−0.003 (3)0.014 (4)−0.011 (4)
O10.047 (5)0.069 (6)0.049 (5)−0.033 (5)0.001 (4)−0.011 (5)
O20.050 (5)0.034 (5)0.057 (6)0.025 (4)−0.002 (4)0.005 (4)
O30.088 (7)0.078 (7)0.082 (7)0.027 (6)0.011 (6)0.002 (6)
C730.030 (6)0.052 (7)0.056 (7)−0.020 (5)−0.008 (5)0.009 (6)
C740.031 (5)0.042 (6)0.021 (5)−0.012 (5)−0.006 (4)−0.007 (4)
C750.092 (12)0.145 (13)0.109 (12)0.004 (9)−0.026 (9)−0.016 (9)
F1'0.141 (9)0.176 (10)0.133 (9)0.025 (8)0.011 (8)−0.023 (8)
F2'0.077 (6)0.116 (7)0.075 (6)−0.001 (5)−0.005 (5)0.038 (5)
F3'0.101 (6)0.102 (7)0.075 (6)−0.043 (6)−0.021 (5)0.000 (5)
O1'0.050 (5)0.066 (6)0.089 (7)0.000 (5)−0.009 (5)0.008 (6)
O2'0.043 (5)0.057 (6)0.112 (7)0.003 (5)0.002 (5)−0.002 (6)
O1W'0.166 (13)0.177 (14)0.163 (14)−0.025 (9)−0.033 (9)0.001 (9)
C73'0.026 (5)0.045 (6)0.066 (7)−0.010 (5)0.002 (5)0.005 (6)
C74'0.050 (8)0.078 (9)0.044 (7)0.009 (7)0.002 (6)0.008 (7)
Geometric parameters (Å, º) top
Ag1—As12.6464 (6)C31—C361.393 (7)
Ag1—As22.6460 (6)C32—C331.391 (8)
Ag1—As32.6342 (7)C32—H320.9500
Ag1—As42.6494 (6)C33—C341.377 (9)
As1—C11.917 (5)C33—H330.9500
As1—C71.946 (5)C34—C351.384 (9)
As1—C131.948 (5)C34—H340.9500
As1—C1'1.955 (5)C35—C361.384 (8)
As2—C311.938 (5)C35—H350.9500
As2—C191.947 (5)C36—H360.9500
As2—C19'1.947 (5)C37—C381.379 (8)
As2—C251.947 (5)C37—C421.386 (8)
As3—C491.940 (6)C38—C391.373 (8)
As3—C371.941 (6)C38—H380.9500
As3—C431.946 (6)C39—C401.375 (9)
As4—C671.932 (6)C39—H390.9500
As4—C551.944 (5)C40—C411.395 (10)
As4—C611.952 (5)C40—H400.9500
C1—C21.3900C41—C421.364 (9)
C1—C61.3900C41—H410.9500
C2—C31.3900C42—H420.9500
C2—H20.9500C43—C481.374 (8)
C3—C41.3900C43—C441.379 (8)
C3—H3A0.9500C44—C451.400 (9)
C4—C51.3900C44—H440.9500
C4—H40.9500C45—C461.369 (9)
C5—C61.3900C45—H450.9500
C5—H50.9500C46—C471.361 (9)
C6—H60.9500C46—H460.9500
C1'—C2'1.3900C47—C481.396 (8)
C1'—C6'1.3900C47—H470.9500
C2'—C3'1.3900C48—H480.9500
C2'—H2'0.9500C49—C541.377 (8)
C3'—C4'1.3900C49—C501.393 (8)
C3'—H3'0.9500C50—C511.380 (9)
C4'—C5'1.3900C50—H500.9500
C4'—H4'0.9500C51—C521.375 (10)
C5'—C6'1.3900C51—H510.9500
C5'—H5'0.9500C52—C531.382 (10)
C6'—H6'0.9500C52—H520.9500
C7—C81.383 (7)C53—C541.396 (8)
C7—C121.385 (7)C53—H530.9500
C8—C91.389 (8)C54—H540.9500
C8—H80.9500C55—C561.394 (7)
C9—C101.379 (9)C55—C601.398 (7)
C9—H90.9500C56—C571.387 (8)
C10—C111.376 (9)C56—H560.9500
C10—H100.9500C57—C581.369 (8)
C11—C121.383 (8)C57—H570.9500
C11—H110.9500C58—C591.395 (9)
C12—H120.9500C58—H580.9500
C13—C141.373 (7)C59—C601.373 (8)
C13—C181.380 (7)C59—H590.9500
C14—C151.389 (7)C60—H600.9500
C14—H140.9500C61—C621.369 (8)
C15—C161.368 (8)C61—C661.369 (7)
C15—H150.9500C62—C631.392 (8)
C16—C171.369 (9)C62—H620.9500
C16—H160.9500C63—C641.334 (10)
C17—C181.389 (8)C63—H630.9500
C17—H170.9500C64—C651.345 (10)
C18—H180.9500C64—H640.9500
C19—C201.3900C65—C661.396 (8)
C19—C241.3900C65—H650.9500
C20—C211.3900C66—H660.9500
C20—H200.9500C67—C721.388 (8)
C21—C221.3900C67—C681.398 (8)
C21—H210.9500C68—C691.394 (9)
C22—C231.3900C68—H680.9500
C22—H220.9500C69—C701.376 (11)
C23—C241.3900C69—H690.9500
C23—H230.9500C70—C711.357 (10)
C24—H240.9500C70—H700.9500
C19'—C20'1.3900C71—C721.399 (8)
C19'—C24'1.3900C71—H710.9500
C20'—C21'1.3900C72—H720.9500
C20'—H20B0.9500F1—C741.318 (8)
C21'—C22'1.3900F2—C741.330 (8)
C21'—H21B0.9500F3—C741.300 (8)
C22'—C23'1.3900O1—C731.223 (8)
C22'—H22B0.9500O2—C731.244 (8)
C23'—C24'1.3900O3—C751.431 (10)
C23'—H23B0.9500O3—H30.8400
C24'—H24B0.9500C73—C741.501 (9)
C25—C301.384 (7)C75—H75A0.9800
C25—C261.388 (7)C75—H75B0.9800
C26—C271.388 (7)C75—H75C0.9800
C26—H260.9500F1'—C74'1.342 (9)
C27—C281.385 (8)F2'—C74'1.359 (9)
C27—H270.9500F3'—C74'1.363 (9)
C28—C291.372 (8)O1'—C73'1.244 (8)
C28—H280.9500O2'—C73'1.241 (8)
C29—C301.387 (7)O1W'—H1W10.8401
C29—H290.9500O1W'—H2W20.8400
C30—H300.9500C73'—C74'1.509 (9)
C31—C321.392 (7)
As3—Ag1—As2109.89 (2)C29—C28—H28120.4
As3—Ag1—As1109.00 (2)C27—C28—H28120.4
As2—Ag1—As1110.713 (19)C28—C29—C30121.4 (5)
As3—Ag1—As4108.64 (2)C28—C29—H29119.3
As2—Ag1—As4108.65 (2)C30—C29—H29119.3
As1—Ag1—As4109.92 (2)C25—C30—C29119.3 (5)
C1—As1—C7102.1 (3)C25—C30—H30120.4
C1—As1—C13105.3 (3)C29—C30—H30120.4
C7—As1—C1399.5 (2)C32—C31—C36119.3 (5)
C7—As1—C1'100.6 (3)C32—C31—As2121.8 (4)
C13—As1—C1'99.9 (4)C36—C31—As2118.8 (4)
C1—As1—Ag1110.8 (3)C33—C32—C31120.1 (5)
C7—As1—Ag1119.45 (14)C33—C32—H32119.9
C13—As1—Ag1117.58 (15)C31—C32—H32119.9
C1'—As1—Ag1116.3 (3)C34—C33—C32120.0 (6)
C31—As2—C19100.8 (4)C34—C33—H33120.0
C31—As2—C19'100.5 (4)C32—C33—H33120.0
C31—As2—C25101.8 (2)C33—C34—C35120.3 (5)
C19—As2—C25100.1 (3)C33—C34—H34119.9
C19'—As2—C25101.3 (3)C35—C34—H34119.9
C31—As2—Ag1115.77 (14)C34—C35—C36120.1 (6)
C19—As2—Ag1120.7 (4)C34—C35—H35119.9
C19'—As2—Ag1120.0 (4)C36—C35—H35119.9
C25—As2—Ag1114.70 (14)C35—C36—C31120.1 (6)
C49—As3—C37100.6 (2)C35—C36—H36119.9
C49—As3—C43102.0 (2)C31—C36—H36119.9
C37—As3—C43102.4 (2)C38—C37—C42120.4 (6)
C49—As3—Ag1113.53 (15)C38—C37—As3118.1 (4)
C37—As3—Ag1118.41 (18)C42—C37—As3121.5 (5)
C43—As3—Ag1117.25 (15)C39—C38—C37120.3 (5)
C67—As4—C55102.0 (2)C39—C38—H38119.9
C67—As4—C61100.7 (2)C37—C38—H38119.9
C55—As4—C61101.4 (2)C38—C39—C40120.2 (6)
C67—As4—Ag1118.22 (18)C38—C39—H39119.9
C55—As4—Ag1119.10 (14)C40—C39—H39119.9
C61—As4—Ag1112.61 (16)C39—C40—C41118.8 (7)
C2—C1—C6120.0C39—C40—H40120.6
C2—C1—As1117.7 (6)C41—C40—H40120.6
C6—C1—As1122.2 (6)C42—C41—C40121.6 (7)
C1—C2—C3120.0C42—C41—H41119.2
C1—C2—H2120.0C40—C41—H41119.2
C3—C2—H2120.0C41—C42—C37118.6 (6)
C4—C3—C2120.0C41—C42—H42120.7
C4—C3—H3A120.0C37—C42—H42120.7
C2—C3—H3A120.0C48—C43—C44119.6 (6)
C5—C4—C3120.0C48—C43—As3122.0 (4)
C5—C4—H4120.0C44—C43—As3118.3 (4)
C3—C4—H4120.0C43—C44—C45119.3 (6)
C4—C5—C6120.0C43—C44—H44120.3
C4—C5—H5120.0C45—C44—H44120.3
C6—C5—H5120.0C46—C45—C44120.8 (6)
C5—C6—C1120.0C46—C45—H45119.6
C5—C6—H6120.0C44—C45—H45119.6
C1—C6—H6120.0C47—C46—C45119.6 (6)
C2'—C1'—C6'120.0C47—C46—H46120.2
C2'—C1'—As1117.0 (6)C45—C46—H46120.2
C6'—C1'—As1122.5 (6)C46—C47—C48120.4 (6)
C1'—C2'—C3'120.0C46—C47—H47119.8
C1'—C2'—H2'120.0C48—C47—H47119.8
C3'—C2'—H2'120.0C43—C48—C47120.2 (6)
C2'—C3'—C4'120.0C43—C48—H48119.9
C2'—C3'—H3'120.0C47—C48—H48119.9
C4'—C3'—H3'120.0C54—C49—C50120.2 (6)
C5'—C4'—C3'120.0C54—C49—As3118.3 (4)
C5'—C4'—H4'120.0C50—C49—As3121.4 (4)
C3'—C4'—H4'120.0C51—C50—C49119.8 (6)
C4'—C5'—C6'120.0C51—C50—H50120.1
C4'—C5'—H5'120.0C49—C50—H50120.1
C6'—C5'—H5'120.0C52—C51—C50120.1 (6)
C5'—C6'—C1'120.0C52—C51—H51119.9
C5'—C6'—H6'120.0C50—C51—H51119.9
C1'—C6'—H6'120.0C51—C52—C53120.4 (6)
C8—C7—C12119.3 (5)C51—C52—H52119.8
C8—C7—As1118.7 (4)C53—C52—H52119.8
C12—C7—As1121.8 (4)C52—C53—C54119.8 (6)
C7—C8—C9120.0 (5)C52—C53—H53120.1
C7—C8—H8120.0C54—C53—H53120.1
C9—C8—H8120.0C49—C54—C53119.5 (6)
C10—C9—C8120.2 (6)C49—C54—H54120.2
C10—C9—H9119.9C53—C54—H54120.2
C8—C9—H9119.9C56—C55—C60118.5 (5)
C11—C10—C9119.9 (5)C56—C55—As4118.4 (4)
C11—C10—H10120.1C60—C55—As4123.0 (4)
C9—C10—H10120.1C57—C56—C55120.2 (5)
C10—C11—C12120.0 (6)C57—C56—H56119.9
C10—C11—H11120.0C55—C56—H56119.9
C12—C11—H11120.0C58—C57—C56120.8 (6)
C11—C12—C7120.5 (5)C58—C57—H57119.6
C11—C12—H12119.8C56—C57—H57119.6
C7—C12—H12119.8C57—C58—C59119.5 (6)
C14—C13—C18119.0 (5)C57—C58—H58120.3
C14—C13—As1122.5 (4)C59—C58—H58120.3
C18—C13—As1118.4 (4)C60—C59—C58120.2 (6)
C13—C14—C15120.5 (5)C60—C59—H59119.9
C13—C14—H14119.8C58—C59—H59119.9
C15—C14—H14119.8C59—C60—C55120.7 (5)
C16—C15—C14120.4 (5)C59—C60—H60119.6
C16—C15—H15119.8C55—C60—H60119.6
C14—C15—H15119.8C62—C61—C66118.9 (5)
C15—C16—C17119.5 (5)C62—C61—As4118.4 (4)
C15—C16—H16120.3C66—C61—As4122.7 (4)
C17—C16—H16120.3C61—C62—C63119.9 (6)
C16—C17—C18120.4 (6)C61—C62—H62120.0
C16—C17—H17119.8C63—C62—H62120.0
C18—C17—H17119.8C64—C63—C62120.8 (7)
C13—C18—C17120.2 (6)C64—C63—H63119.6
C13—C18—H18119.9C62—C63—H63119.6
C17—C18—H18119.9C63—C64—C65120.0 (6)
C20—C19—C24120.0C63—C64—H64120.0
C20—C19—As2120.1 (7)C65—C64—H64120.0
C24—C19—As2119.9 (7)C64—C65—C66120.7 (6)
C19—C20—C21120.0C64—C65—H65119.7
C19—C20—H20120.0C66—C65—H65119.7
C21—C20—H20120.0C61—C66—C65119.6 (6)
C22—C21—C20120.0C61—C66—H66120.2
C22—C21—H21120.0C65—C66—H66120.2
C20—C21—H21120.0C72—C67—C68119.0 (6)
C23—C22—C21120.0C72—C67—As4118.3 (5)
C23—C22—H22120.0C68—C67—As4122.7 (5)
C21—C22—H22120.0C69—C68—C67119.3 (7)
C24—C23—C22120.0C69—C68—H68120.4
C24—C23—H23120.0C67—C68—H68120.4
C22—C23—H23120.0C70—C69—C68121.0 (7)
C23—C24—C19120.0C70—C69—H69119.5
C23—C24—H24120.0C68—C69—H69119.5
C19—C24—H24120.0C71—C70—C69120.1 (6)
C20'—C19'—C24'120.0C71—C70—H70120.0
C20'—C19'—As2117.7 (7)C69—C70—H70120.0
C24'—C19'—As2122.2 (7)C70—C71—C72120.3 (7)
C21'—C20'—C19'120.0C70—C71—H71119.9
C21'—C20'—H20B120.0C72—C71—H71119.9
C19'—C20'—H20B120.0C67—C72—C71120.4 (6)
C20'—C21'—C22'120.0C67—C72—H72119.8
C20'—C21'—H21B120.0C71—C72—H72119.8
C22'—C21'—H21B120.0C75—O3—H3106.6
C21'—C22'—C23'120.0O1—C73—O2125.7 (10)
C21'—C22'—H22B120.0O1—C73—C74117.8 (9)
C23'—C22'—H22B120.0O2—C73—C74116.5 (9)
C24'—C23'—C22'120.0F3—C74—F1109.0 (7)
C24'—C23'—H23B120.0F3—C74—F2107.1 (7)
C22'—C23'—H23B120.0F1—C74—F2108.9 (7)
C23'—C24'—C19'120.0F3—C74—C73108.4 (7)
C23'—C24'—H24B120.0F1—C74—C73113.4 (8)
C19'—C24'—H24B120.0F2—C74—C73109.9 (8)
C30—C25—C26119.9 (5)H1W1—O1W'—H2W2109.5
C30—C25—As2122.4 (4)O2'—C73'—O1'123.2 (10)
C26—C25—As2117.7 (4)O2'—C73'—C74'117.2 (10)
C27—C26—C25120.0 (5)O1'—C73'—C74'119.5 (10)
C27—C26—H26120.0F1'—C74'—F2'109.5 (8)
C25—C26—H26120.0F1'—C74'—F3'107.9 (9)
C28—C27—C26120.3 (5)F2'—C74'—F3'108.2 (8)
C28—C27—H27119.9F1'—C74'—C73'108.6 (11)
C26—C27—H27119.9F2'—C74'—C73'112.2 (9)
C29—C28—C27119.2 (5)F3'—C74'—C73'110.5 (9)
As3—Ag1—As1—C1172.1 (3)C20'—C21'—C22'—C23'0.0
As2—Ag1—As1—C1−67.0 (3)C21'—C22'—C23'—C24'0.0
As4—Ag1—As1—C153.1 (3)C22'—C23'—C24'—C19'0.0
As3—Ag1—As1—C753.82 (17)C20'—C19'—C24'—C23'0.0
As2—Ag1—As1—C7174.81 (17)As2—C19'—C24'—C23'−176.8 (8)
As4—Ag1—As1—C7−65.15 (17)C31—As2—C25—C30−113.0 (4)
As3—Ag1—As1—C13−66.81 (17)C19—As2—C25—C30−9.6 (6)
As2—Ag1—As1—C1354.18 (17)C19'—As2—C25—C30−9.6 (6)
As4—Ag1—As1—C13174.22 (17)Ag1—As2—C25—C30121.2 (4)
As3—Ag1—As1—C1'174.8 (3)C31—As2—C25—C2669.3 (4)
As2—Ag1—As1—C1'−64.2 (3)C19—As2—C25—C26172.8 (6)
As4—Ag1—As1—C1'55.9 (3)C19'—As2—C25—C26172.7 (5)
As3—Ag1—As2—C31−175.46 (16)Ag1—As2—C25—C26−56.5 (4)
As1—Ag1—As2—C3164.09 (16)C30—C25—C26—C270.7 (8)
As4—Ag1—As2—C31−56.72 (16)As2—C25—C26—C27178.4 (4)
As3—Ag1—As2—C1962.6 (4)C25—C26—C27—C28−0.5 (9)
As1—Ag1—As2—C19−57.9 (4)C26—C27—C28—C290.7 (9)
As4—Ag1—As2—C19−178.7 (4)C27—C28—C29—C30−1.1 (9)
As3—Ag1—As2—C19'63.7 (4)C26—C25—C30—C29−1.0 (8)
As1—Ag1—As2—C19'−56.7 (4)As2—C25—C30—C29−178.6 (4)
As4—Ag1—As2—C19'−177.6 (4)C28—C29—C30—C251.2 (9)
As3—Ag1—As2—C25−57.31 (17)C19—As2—C31—C32−82.9 (5)
As1—Ag1—As2—C25−177.77 (17)C19'—As2—C31—C32−84.1 (5)
As4—Ag1—As2—C2561.42 (17)C25—As2—C31—C3220.0 (4)
As2—Ag1—As3—C49−60.46 (19)Ag1—As2—C31—C32145.1 (4)
As1—Ag1—As3—C4961.03 (19)C19—As2—C31—C3694.1 (5)
As4—Ag1—As3—C49−179.20 (19)C19'—As2—C31—C3692.9 (5)
As2—Ag1—As3—C3757.22 (19)C25—As2—C31—C36−163.0 (4)
As1—Ag1—As3—C37178.71 (19)Ag1—As2—C31—C36−37.9 (4)
As4—Ag1—As3—C37−61.53 (19)C36—C31—C32—C33−0.8 (8)
As2—Ag1—As3—C43−179.14 (18)As2—C31—C32—C33176.1 (4)
As1—Ag1—As3—C43−57.65 (18)C31—C32—C33—C34−0.2 (9)
As4—Ag1—As3—C4362.12 (18)C32—C33—C34—C350.9 (9)
As3—Ag1—As4—C6753.81 (18)C33—C34—C35—C36−0.5 (9)
As2—Ag1—As4—C67−65.71 (18)C34—C35—C36—C31−0.6 (8)
As1—Ag1—As4—C67172.99 (18)C32—C31—C36—C351.3 (8)
As3—Ag1—As4—C55178.48 (18)As2—C31—C36—C35−175.8 (4)
As2—Ag1—As4—C5558.96 (18)C49—As3—C37—C3877.2 (5)
As1—Ag1—As4—C55−62.33 (18)C43—As3—C37—C38−177.9 (5)
As3—Ag1—As4—C61−63.11 (17)Ag1—As3—C37—C38−47.1 (5)
As2—Ag1—As4—C61177.37 (17)C49—As3—C37—C42−102.5 (6)
As1—Ag1—As4—C6156.08 (17)C43—As3—C37—C422.5 (6)
C7—As1—C1—C278.7 (5)Ag1—As3—C37—C42133.2 (5)
C13—As1—C1—C2−177.7 (4)C42—C37—C38—C391.4 (10)
C1'—As1—C1—C2155 (5)As3—C37—C38—C39−178.2 (5)
Ag1—As1—C1—C2−49.6 (5)C37—C38—C39—C40−1.0 (11)
C7—As1—C1—C6−104.6 (6)C38—C39—C40—C410.9 (13)
C13—As1—C1—C6−1.1 (6)C39—C40—C41—C42−1.4 (15)
C1'—As1—C1—C6−28 (5)C40—C41—C42—C371.9 (14)
Ag1—As1—C1—C6127.1 (5)C38—C37—C42—C41−1.8 (11)
C6—C1—C2—C30.0As3—C37—C42—C41177.8 (7)
As1—C1—C2—C3176.7 (7)C49—As3—C43—C486.9 (5)
C1—C2—C3—C40.0C37—As3—C43—C48−97.0 (5)
C2—C3—C4—C50.0Ag1—As3—C43—C48131.5 (4)
C3—C4—C5—C60.0C49—As3—C43—C44−169.8 (4)
C4—C5—C6—C10.0C37—As3—C43—C4486.3 (5)
C2—C1—C6—C50.0Ag1—As3—C43—C44−45.2 (5)
As1—C1—C6—C5−176.6 (7)C48—C43—C44—C450.9 (9)
C1—As1—C1'—C2'−5 (5)As3—C43—C44—C45177.7 (5)
C7—As1—C1'—C2'100.1 (5)C43—C44—C45—C460.1 (10)
C13—As1—C1'—C2'−158.1 (4)C44—C45—C46—C47−1.2 (10)
Ag1—As1—C1'—C2'−30.4 (5)C45—C46—C47—C481.3 (10)
C1—As1—C1'—C6'−177 (5)C44—C43—C48—C47−0.9 (9)
C7—As1—C1'—C6'−71.8 (5)As3—C43—C48—C47−177.5 (5)
C13—As1—C1'—C6'30.0 (5)C46—C47—C48—C43−0.2 (10)
Ag1—As1—C1'—C6'157.6 (4)C37—As3—C49—C54−164.2 (4)
C6'—C1'—C2'—C3'0.0C43—As3—C49—C5490.5 (5)
As1—C1'—C2'—C3'−172.2 (7)Ag1—As3—C49—C54−36.7 (5)
C1'—C2'—C3'—C4'0.0C37—As3—C49—C5012.7 (5)
C2'—C3'—C4'—C5'0.0C43—As3—C49—C50−92.6 (5)
C3'—C4'—C5'—C6'0.0Ag1—As3—C49—C50140.3 (4)
C4'—C5'—C6'—C1'0.0C54—C49—C50—C510.6 (8)
C2'—C1'—C6'—C5'0.0As3—C49—C50—C51−176.3 (4)
As1—C1'—C6'—C5'171.7 (7)C49—C50—C51—C520.1 (9)
C1—As1—C7—C8−160.0 (5)C50—C51—C52—C53−0.4 (9)
C13—As1—C7—C891.9 (4)C51—C52—C53—C540.0 (9)
C1'—As1—C7—C8−166.0 (5)C50—C49—C54—C53−0.9 (9)
Ag1—As1—C7—C8−37.4 (5)As3—C49—C54—C53176.0 (4)
C1—As1—C7—C1223.9 (5)C52—C53—C54—C490.6 (9)
C13—As1—C7—C12−84.1 (4)C67—As4—C55—C5682.8 (4)
C1'—As1—C7—C1218.0 (5)C61—As4—C55—C56−173.5 (4)
Ag1—As1—C7—C12146.5 (4)Ag1—As4—C55—C56−49.4 (5)
C12—C7—C8—C91.2 (8)C67—As4—C55—C60−98.3 (5)
As1—C7—C8—C9−174.9 (4)C61—As4—C55—C605.4 (5)
C7—C8—C9—C100.1 (8)Ag1—As4—C55—C60129.5 (4)
C8—C9—C10—C11−1.8 (9)C60—C55—C56—C57−0.3 (8)
C9—C10—C11—C122.2 (9)As4—C55—C56—C57178.7 (4)
C10—C11—C12—C7−0.9 (8)C55—C56—C57—C581.3 (9)
C8—C7—C12—C11−0.8 (8)C56—C57—C58—C59−1.4 (10)
As1—C7—C12—C11175.2 (4)C57—C58—C59—C600.4 (10)
C1—As1—C13—C14−96.6 (5)C58—C59—C60—C550.6 (10)
C7—As1—C13—C148.9 (5)C56—C55—C60—C59−0.7 (9)
C1'—As1—C13—C14−93.8 (5)As4—C55—C60—C59−179.6 (5)
Ag1—As1—C13—C14139.5 (4)C67—As4—C61—C62−168.3 (5)
C1—As1—C13—C1887.1 (6)C55—As4—C61—C6286.9 (5)
C7—As1—C13—C18−167.4 (5)Ag1—As4—C61—C62−41.4 (5)
C1'—As1—C13—C1889.9 (6)C67—As4—C61—C669.8 (5)
Ag1—As1—C13—C18−36.9 (5)C55—As4—C61—C66−94.9 (5)
C18—C13—C14—C151.3 (9)Ag1—As4—C61—C66136.7 (5)
As1—C13—C14—C15−175.0 (4)C66—C61—C62—C63−1.1 (10)
C13—C14—C15—C16−0.7 (9)As4—C61—C62—C63177.2 (6)
C14—C15—C16—C170.9 (9)C61—C62—C63—C642.4 (12)
C15—C16—C17—C18−1.7 (11)C62—C63—C64—C65−2.5 (12)
C14—C13—C18—C17−2.2 (10)C63—C64—C65—C661.3 (12)
As1—C13—C18—C17174.3 (6)C62—C61—C66—C65−0.1 (10)
C16—C17—C18—C132.4 (11)As4—C61—C66—C65−178.2 (5)
C31—As2—C19—C20−148.8 (5)C64—C65—C66—C610.0 (11)
C19'—As2—C19—C20−75 (37)C55—As4—C67—C72−151.8 (4)
C25—As2—C19—C20107.0 (5)C61—As4—C67—C72104.0 (4)
Ag1—As2—C19—C20−19.9 (6)Ag1—As4—C67—C72−19.1 (5)
C31—As2—C19—C2429.6 (6)C55—As4—C67—C6832.0 (5)
C19'—As2—C19—C24104 (37)C61—As4—C67—C68−72.2 (5)
C25—As2—C19—C24−74.6 (6)Ag1—As4—C67—C68164.7 (4)
Ag1—As2—C19—C24158.5 (4)C72—C67—C68—C69−2.5 (9)
C24—C19—C20—C210.0As4—C67—C68—C69173.7 (5)
As2—C19—C20—C21178.4 (8)C67—C68—C69—C701.4 (10)
C19—C20—C21—C220.0C68—C69—C70—C710.6 (10)
C20—C21—C22—C230.0C69—C70—C71—C72−1.5 (10)
C21—C22—C23—C240.0C68—C67—C72—C711.7 (8)
C22—C23—C24—C190.0As4—C67—C72—C71−174.7 (4)
C20—C19—C24—C230.0C70—C71—C72—C670.4 (9)
As2—C19—C24—C23−178.4 (8)O1—C73—C74—F3−31.9 (13)
C31—As2—C19'—C20'−173.9 (5)O2—C73—C74—F3147.7 (11)
C19—As2—C19'—C20'80 (37)O1—C73—C74—F1−153.1 (10)
C25—As2—C19'—C20'81.7 (5)O2—C73—C74—F126.5 (14)
Ag1—As2—C19'—C20'−45.7 (6)O1—C73—C74—F284.7 (12)
C31—As2—C19'—C24'2.9 (6)O2—C73—C74—F2−95.6 (12)
C19—As2—C19'—C24'−103 (37)O2'—C73'—C74'—F1'144.6 (12)
C25—As2—C19'—C24'−101.5 (6)O1'—C73'—C74'—F1'−39.7 (15)
Ag1—As2—C19'—C24'131.1 (5)O2'—C73'—C74'—F2'23.5 (15)
C24'—C19'—C20'—C21'0.0O1'—C73'—C74'—F2'−160.8 (11)
As2—C19'—C20'—C21'176.9 (8)O2'—C73'—C74'—F3'−97.3 (13)
C19'—C20'—C21'—C22'0.0O1'—C73'—C74'—F3'78.5 (14)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H3···O10.841.972.80 (2)175
O1w'—H1w1···O1′0.842.022.86 (3)179
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H3···O10.841.972.80 (2)175
O1w'—H1w1···O1'0.842.022.86 (3)179
Acknowledgements top

I thank Dr Kong Mun Lo for providing the crystal and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12) for supporting this study.

references
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