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The title μ3-Cl dicapped trisilver compound, [Ag3Cl2(C25H22P2)3][SbF6]·2CH2Cl2, exhibits distorted trigonal bipy­ramidal coordination with two μ3-Cl atoms at the apices. The AgI atoms are four-coordinated and exhibit a tetrahedral geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804018112/lh6228sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804018112/lh6228Isup2.hkl
Contains datablock I

CCDC reference: 248757

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.017 Å
  • R factor = 0.072
  • wR factor = 0.171
  • Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
Author Response: Problem with data collection staategy, hence the precision of the structure is lowered.

Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag1 - Cl1 .. 11.14 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag2 - Cl2 .. 10.23 su
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.60 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 14352 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 15504 Completeness (_total/calc) 92.57% SHFSU01_ALERT_2_C The absolute value of parameter shift to su ratio > 0.05 Absolute value of the parameter shift to su ratio given 0.094 Additional refinement cycles may be required. PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.93 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT080_ALERT_2_C Maximum Shift/Error ............................ 0.09 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.33 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.32 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ag1 - Cl2 .. 7.03 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ag1 - P1 .. 5.12 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ag2 - Cl1 .. 9.25 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C113 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C415 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C515 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C511 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C514 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C611 PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors for C04 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for Sb1 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C511 -C516 1.37 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 17 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15 PLAT731_ALERT_1_C Bond Calc 1.724(18), Rep 1.725(5) ...... 3.60 su-Rat CL3 -C04 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 1.712(17), Rep 1.713(5) ...... 3.40 su-Rat CL4 -C04 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 1.72(2), Rep 1.718(5) ...... 4.00 su-Rat CL6 -C05 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 1.72(2), Rep 1.721(5) ...... 4.00 su-Rat CL5 -C05 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 113.2(12), Rep 113.2(5) ...... 2.40 su-Rat CL4 -C04 -CL3 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 C H2 Cl2
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 28 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens, 1994); data reduction: XPREP (Siemens, 1994); program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Tris[µ-bis(diphenylphosphino)methane-κ2P:P']di-µ3-chloro-trisilver(I) hexafluoroantimonate dichloromethane disolvate top
Crystal data top
[Ag3Cl2(C25H22P2)3][SbF6]·2CH2Cl2F(000) = 3880
Mr = 1953.21Dx = 1.575 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 6217 reflections
a = 16.0613 (4) Åθ = 1.3–25.6°
b = 18.1719 (5) ŵ = 1.39 mm1
c = 28.3500 (7) ÅT = 293 K
β = 95.303 (1)°Prism, pale yellow
V = 8238.9 (4) Å30.60 × 0.50 × 0.32 mm
Z = 4
Data collection top
Siemens SMART CCD
diffractometer
14352 independent reflections
Radiation source: fine-focus sealed tube10131 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.057
ω scansθmax = 25.6°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 199
Tmin = 0.438, Tmax = 0.641k = 1621
28476 measured reflectionsl = 3234
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)] = 0.072Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.171H-atom parameters constrained
S = 1.22 w = 1/[σ2(Fo2) + (0.0294P)2 + 55.193P]
where P = (Fo2 + 2Fc2)/3
14352 reflections(Δ/σ)max = 0.094
892 parametersΔρmax = 1.54 e Å3
6 restraintsΔρmin = 1.06 e Å3
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
Ag30.85375 (4)0.82543 (4)0.75825 (2)0.04721 (18)
Ag20.95918 (4)0.82398 (5)0.66148 (2)0.0528 (2)
Ag11.06488 (4)0.78071 (4)0.76999 (2)0.0528 (2)
Sb10.43565 (4)0.77895 (5)0.55432 (3)0.0693 (2)
P20.86252 (13)0.82303 (13)0.84630 (7)0.0386 (5)
C010.7404 (5)0.7847 (5)0.6417 (3)0.0394 (19)
H01A0.75510.73300.64140.047*
H01B0.68790.79070.62230.047*
Cl20.93667 (13)0.70478 (12)0.72449 (8)0.0482 (5)
P51.09321 (13)0.80082 (13)0.62819 (8)0.0414 (5)
Cl10.98756 (14)0.91145 (12)0.73781 (8)0.0483 (5)
P61.19248 (13)0.77800 (13)0.72676 (8)0.0421 (5)
P40.82170 (14)0.83775 (14)0.61517 (8)0.0463 (6)
P30.72575 (13)0.81242 (12)0.70306 (7)0.0390 (5)
P11.04450 (13)0.75886 (13)0.85544 (8)0.0407 (5)
C2110.7655 (5)0.7949 (5)0.8715 (3)0.046 (2)
C6211.2830 (6)0.8242 (5)0.7595 (3)0.049 (2)
C1211.0952 (5)0.8284 (5)0.8955 (3)0.047 (2)
C5211.1126 (5)0.7059 (5)0.6089 (3)0.048 (2)
C4210.7746 (6)0.9294 (5)0.6046 (3)0.055 (2)
C3210.6642 (5)0.7332 (5)0.7220 (3)0.043 (2)
C5111.1044 (6)0.8547 (5)0.5740 (3)0.049 (2)
C2210.8912 (6)0.9103 (5)0.8775 (3)0.047 (2)
C2120.7627 (6)0.7709 (6)0.9181 (3)0.060 (3)
H21A0.81200.76780.93800.072*
C031.1882 (5)0.8239 (5)0.6677 (3)0.045 (2)
H03A1.19030.87680.67240.054*
H03B1.23720.80980.65220.054*
C6111.2324 (5)0.6845 (5)0.7178 (3)0.047 (2)
C1261.1075 (6)0.8990 (6)0.8781 (4)0.063 (3)
H12A1.08980.90990.84670.076*
C5221.1775 (7)0.6893 (6)0.5819 (4)0.070 (3)
H52A1.21130.72670.57200.084*
C2160.6918 (5)0.7975 (6)0.8425 (4)0.062 (3)
H21B0.69200.81330.81130.074*
C020.9366 (5)0.7538 (5)0.8724 (3)0.043 (2)
H02A0.91450.70550.86390.052*
H02B0.93870.75790.90660.052*
C6221.2801 (6)0.8371 (6)0.8082 (3)0.060 (3)
H62A1.23200.82430.82230.072*
C4110.8261 (6)0.7963 (6)0.5567 (3)0.061 (3)
C1111.0872 (5)0.6711 (5)0.8797 (3)0.049 (2)
C2260.9066 (6)0.9136 (6)0.9267 (3)0.062 (3)
H22A0.90480.87070.94450.075*
C6261.3539 (6)0.8459 (6)0.7392 (4)0.063 (3)
H62B1.35770.83930.70700.076*
C3110.6542 (5)0.8913 (5)0.6992 (3)0.045 (2)
C3260.5797 (6)0.7341 (6)0.7240 (4)0.066 (3)
H32A0.54910.77610.71490.079*
C2150.6172 (6)0.7765 (7)0.8596 (4)0.078 (3)
H21C0.56810.77740.83950.093*
C5261.0634 (7)0.6487 (5)0.6228 (4)0.063 (3)
H52B1.01940.65870.64100.075*
C6121.3038 (7)0.6698 (6)0.6960 (4)0.071 (3)
H61A1.33170.70810.68250.086*
C1251.1460 (8)0.9535 (7)0.9070 (5)0.084 (4)
H12B1.15411.00010.89480.100*
C3220.7083 (6)0.6697 (5)0.7361 (4)0.061 (3)
H32B0.76610.66850.73600.074*
C6251.4204 (7)0.8780 (6)0.7677 (5)0.078 (3)
H62C1.46840.89220.75420.094*
C5141.1074 (8)0.9349 (7)0.4902 (4)0.080 (3)
H51A1.10780.96400.46320.096*
C1161.0557 (7)0.6317 (6)0.9168 (4)0.071 (3)
H11A1.01140.65120.93180.085*
C1221.1224 (7)0.8143 (6)0.9434 (3)0.066 (3)
H12C1.11450.76800.95620.080*
C3120.5855 (6)0.8975 (7)0.6658 (4)0.070 (3)
H31A0.57500.86040.64340.083*
C4160.8559 (8)0.7250 (7)0.5548 (4)0.082 (3)
H41A0.86530.69860.58290.098*
C3250.5387 (7)0.6715 (7)0.7398 (5)0.086 (4)
H32C0.48140.67300.74230.103*
C2130.6877 (7)0.7516 (7)0.9354 (4)0.074 (3)
H21D0.68670.73680.96670.089*
C5121.0359 (7)0.8601 (7)0.5415 (4)0.082 (4)
H51B0.98670.83640.54760.099*
C1121.1526 (7)0.6395 (7)0.8587 (4)0.078 (3)
H11B1.17500.66330.83380.093*
C3160.6691 (6)0.9476 (5)0.7319 (4)0.062 (3)
H31B0.71420.94490.75490.074*
C2220.8971 (7)0.9738 (5)0.8509 (4)0.063 (3)
H22B0.88790.97230.81810.076*
C4220.6987 (7)0.9383 (7)0.5768 (4)0.075 (3)
H42A0.67110.89750.56310.090*
F50.5366 (7)0.7532 (8)0.5817 (5)0.227 (7)
C5161.1750 (7)0.8887 (7)0.5621 (4)0.079 (4)
H51C1.22350.88580.58260.095*
C4230.6641 (9)1.0084 (9)0.5697 (6)0.099 (4)
H42B0.61491.01480.55010.118*
C3230.6662 (7)0.6085 (6)0.7503 (4)0.074 (3)
H32D0.69630.56630.75930.089*
C1141.1523 (9)0.5337 (7)0.9106 (6)0.094 (4)
H11C1.17280.48770.92010.113*
C1231.1610 (8)0.8698 (8)0.9714 (4)0.089 (4)
H12D1.17960.85981.00280.106*
C5251.0788 (8)0.5769 (7)0.6100 (5)0.089 (4)
H52C1.04540.53940.62020.106*
C6241.4153 (7)0.8887 (6)0.8153 (5)0.078 (3)
H62D1.45980.91030.83360.094*
F40.4649 (6)0.7510 (8)0.4961 (3)0.185 (6)
C2140.6145 (7)0.7545 (7)0.9056 (4)0.078 (3)
H21E0.56380.74150.91680.094*
C2250.9246 (8)0.9803 (7)0.9494 (4)0.081 (3)
H22C0.93230.98230.98230.097*
C5231.1923 (8)0.6159 (8)0.5693 (5)0.093 (4)
H52D1.23660.60500.55170.112*
F30.3972 (9)0.6862 (7)0.5612 (6)0.227 (7)
C1151.0888 (8)0.5652 (7)0.9315 (5)0.087 (4)
H11D1.06710.54100.95660.105*
C4140.8562 (12)0.7315 (12)0.4694 (5)0.127 (7)
H41B0.86680.71070.44050.153*
C4120.8107 (7)0.8337 (8)0.5132 (4)0.085 (4)
H41C0.79020.88150.51320.102*
F20.4000 (7)0.8081 (8)0.6118 (4)0.203 (6)
C5151.1763 (8)0.9276 (8)0.5199 (5)0.097 (4)
H51D1.22600.94890.51230.116*
C1131.1853 (8)0.5717 (8)0.8748 (6)0.104 (5)
H11E1.23060.55190.86090.124*
C2240.9311 (9)1.0433 (8)0.9231 (5)0.100 (5)
H22D0.94491.08770.93820.120*
C5131.0376 (7)0.8997 (8)0.4997 (4)0.096 (4)
H51E0.99020.90190.47830.115*
C4240.7041 (12)1.0686 (9)0.5921 (6)0.112 (6)
H42C0.68051.11520.58820.135*
F10.4766 (9)0.8708 (6)0.5494 (5)0.210 (6)
C2230.9171 (9)1.0407 (7)0.8744 (5)0.096 (4)
H22E0.92091.08360.85680.116*
C3150.6153 (8)1.0092 (7)0.7301 (5)0.087 (4)
H31C0.62591.04740.75160.104*
C6161.1882 (8)0.6263 (6)0.7342 (4)0.080 (3)
H61B1.13800.63460.74720.096*
C3140.5478 (8)1.0130 (8)0.6969 (5)0.087 (4)
H31D0.51251.05360.69620.104*
C4130.8250 (10)0.8014 (12)0.4705 (5)0.114 (6)
H41D0.81330.82740.44240.137*
C3130.5321 (8)0.9577 (8)0.6650 (5)0.090 (4)
H31E0.48590.96020.64270.108*
C4260.8148 (8)0.9903 (6)0.6270 (4)0.073 (3)
H42D0.86470.98470.64610.088*
C5241.1415 (8)0.5599 (7)0.5830 (5)0.090 (4)
H52E1.15020.51150.57390.108*
C6131.3350 (8)0.5975 (8)0.6940 (5)0.091 (4)
H61C1.38460.58850.68050.110*
C6141.2918 (11)0.5405 (8)0.7122 (6)0.104 (5)
H61D1.31240.49280.71120.125*
C4250.7779 (12)1.0599 (7)0.6199 (5)0.105 (5)
H42E0.80391.10090.63430.126*
F60.3319 (7)0.7989 (10)0.5282 (5)0.232 (7)
C6151.2197 (11)0.5535 (7)0.7313 (5)0.103 (5)
H61E1.19010.51440.74280.124*
Cl31.1078 (3)1.1697 (3)0.65989 (19)0.1402 (17)
Cl41.0704 (4)1.0258 (3)0.6221 (2)0.168 (2)
Cl61.1578 (6)0.4551 (7)0.3617 (3)0.305 (5)
C6231.3460 (8)0.8681 (7)0.8359 (4)0.078 (3)
H62E1.34310.87470.86830.093*
Cl51.1211 (8)0.5277 (6)0.4460 (4)0.351 (7)
C1241.1721 (8)0.9387 (8)0.9534 (5)0.087 (4)
H12E1.19730.97540.97270.105*
C3240.5822 (8)0.6088 (7)0.7515 (5)0.084 (4)
H32E0.55450.56670.76020.101*
C4150.8727 (11)0.6906 (9)0.5116 (6)0.130 (6)
H41E0.89370.64300.51120.156*
C041.0599 (17)1.0862 (7)0.6675 (6)0.269 (18)
H04A1.08371.06420.69690.323*
H04B1.00091.09440.67030.323*
C051.1957 (10)0.5113 (14)0.4075 (7)0.32 (2)
H05B1.24410.48830.42450.385*
H05A1.21340.55770.39470.385*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag30.0410 (4)0.0633 (4)0.0365 (3)0.0017 (3)0.0006 (3)0.0014 (3)
Ag20.0379 (4)0.0775 (5)0.0431 (4)0.0011 (3)0.0052 (3)0.0011 (4)
Ag10.0422 (4)0.0733 (5)0.0435 (4)0.0014 (3)0.0076 (3)0.0041 (4)
Sb10.0561 (4)0.0951 (6)0.0567 (4)0.0040 (4)0.0059 (3)0.0176 (4)
P20.0354 (11)0.0485 (13)0.0315 (10)0.0034 (10)0.0012 (8)0.0011 (10)
C010.035 (4)0.047 (5)0.036 (4)0.009 (4)0.005 (3)0.005 (4)
Cl20.0438 (12)0.0486 (12)0.0530 (13)0.0025 (10)0.0080 (10)0.0019 (10)
P50.0358 (11)0.0499 (13)0.0393 (12)0.0002 (10)0.0075 (9)0.0014 (10)
Cl10.0548 (13)0.0453 (12)0.0451 (12)0.0011 (10)0.0056 (10)0.0035 (10)
P60.0340 (11)0.0522 (14)0.0405 (12)0.0011 (10)0.0048 (9)0.0006 (11)
P40.0391 (12)0.0611 (15)0.0384 (12)0.0013 (11)0.0022 (9)0.0036 (11)
P30.0365 (11)0.0456 (13)0.0343 (11)0.0021 (9)0.0005 (9)0.0009 (10)
P10.0353 (11)0.0505 (13)0.0361 (11)0.0032 (10)0.0029 (9)0.0049 (10)
C2110.038 (5)0.053 (5)0.046 (5)0.003 (4)0.004 (4)0.006 (4)
C6210.053 (5)0.048 (5)0.045 (5)0.009 (4)0.003 (4)0.008 (4)
C1210.033 (4)0.066 (6)0.041 (5)0.002 (4)0.006 (4)0.003 (5)
C5210.039 (5)0.058 (6)0.046 (5)0.001 (4)0.001 (4)0.006 (4)
C4210.055 (6)0.058 (6)0.053 (6)0.005 (5)0.013 (5)0.015 (5)
C3210.038 (5)0.050 (5)0.040 (5)0.004 (4)0.000 (4)0.001 (4)
C5110.053 (5)0.055 (6)0.040 (5)0.004 (4)0.014 (4)0.007 (4)
C2210.052 (5)0.050 (5)0.041 (5)0.001 (4)0.009 (4)0.009 (4)
C2120.043 (5)0.085 (8)0.052 (6)0.004 (5)0.000 (4)0.019 (5)
C030.040 (5)0.051 (5)0.045 (5)0.007 (4)0.010 (4)0.002 (4)
C6110.049 (5)0.046 (5)0.044 (5)0.004 (4)0.003 (4)0.001 (4)
C1260.058 (6)0.080 (8)0.052 (6)0.010 (5)0.008 (5)0.005 (6)
C5220.058 (6)0.075 (8)0.079 (7)0.002 (6)0.021 (6)0.013 (6)
C2160.034 (5)0.092 (8)0.059 (6)0.007 (5)0.009 (4)0.001 (6)
C020.033 (4)0.056 (5)0.039 (5)0.013 (4)0.003 (4)0.002 (4)
C6220.059 (6)0.067 (7)0.053 (6)0.004 (5)0.006 (5)0.004 (5)
C4110.058 (6)0.079 (8)0.046 (6)0.014 (5)0.009 (5)0.015 (5)
C1110.043 (5)0.052 (5)0.051 (5)0.009 (4)0.007 (4)0.000 (5)
C2260.071 (7)0.067 (7)0.047 (6)0.003 (5)0.001 (5)0.007 (5)
C6260.050 (6)0.074 (7)0.068 (7)0.006 (5)0.017 (5)0.016 (6)
C3110.041 (5)0.050 (5)0.042 (5)0.009 (4)0.005 (4)0.008 (4)
C3260.039 (5)0.068 (7)0.090 (8)0.001 (5)0.005 (5)0.009 (6)
C2150.043 (6)0.116 (10)0.073 (8)0.008 (6)0.002 (5)0.005 (7)
C5260.073 (7)0.047 (6)0.072 (7)0.009 (5)0.025 (6)0.004 (5)
C6120.068 (7)0.054 (6)0.094 (8)0.012 (5)0.019 (6)0.001 (6)
C1250.093 (9)0.081 (8)0.080 (9)0.035 (7)0.022 (7)0.014 (7)
C3220.052 (6)0.057 (6)0.078 (7)0.002 (5)0.016 (5)0.006 (5)
C6250.049 (6)0.072 (8)0.115 (10)0.010 (5)0.006 (6)0.016 (7)
C5140.092 (9)0.094 (9)0.056 (7)0.000 (7)0.016 (6)0.028 (6)
C1160.085 (8)0.061 (7)0.067 (7)0.014 (6)0.010 (6)0.017 (6)
C1220.073 (7)0.074 (7)0.052 (6)0.007 (6)0.001 (5)0.004 (5)
C3120.060 (6)0.088 (8)0.058 (6)0.025 (6)0.007 (5)0.003 (6)
C4160.093 (9)0.094 (9)0.058 (7)0.016 (7)0.011 (6)0.018 (7)
C3250.061 (7)0.083 (9)0.117 (11)0.020 (7)0.020 (7)0.001 (8)
C2130.058 (7)0.108 (9)0.058 (6)0.002 (6)0.019 (5)0.016 (6)
C5120.060 (7)0.125 (11)0.060 (7)0.012 (7)0.004 (5)0.040 (7)
C1120.059 (7)0.079 (8)0.097 (9)0.018 (6)0.015 (6)0.004 (7)
C3160.062 (6)0.043 (5)0.080 (7)0.000 (5)0.006 (5)0.004 (5)
C2220.082 (7)0.053 (6)0.056 (6)0.001 (5)0.012 (5)0.001 (5)
C4220.054 (6)0.080 (8)0.091 (8)0.005 (6)0.006 (6)0.024 (7)
F50.127 (8)0.269 (15)0.261 (15)0.070 (9)0.104 (9)0.113 (12)
C5160.067 (7)0.113 (10)0.056 (6)0.033 (7)0.002 (5)0.026 (7)
C4230.081 (9)0.097 (11)0.120 (12)0.018 (8)0.021 (8)0.036 (10)
C3230.080 (8)0.051 (6)0.096 (9)0.003 (6)0.029 (7)0.008 (6)
C1140.087 (10)0.068 (8)0.122 (12)0.024 (7)0.025 (9)0.002 (8)
C1230.099 (10)0.110 (11)0.052 (7)0.013 (8)0.016 (6)0.019 (7)
C5250.100 (10)0.064 (8)0.106 (10)0.010 (7)0.027 (8)0.010 (7)
C6240.065 (7)0.066 (7)0.098 (10)0.001 (6)0.021 (7)0.026 (7)
F40.150 (9)0.315 (15)0.099 (6)0.068 (9)0.054 (6)0.104 (8)
C2140.046 (6)0.108 (10)0.084 (8)0.011 (6)0.029 (6)0.008 (7)
C2250.096 (9)0.086 (9)0.062 (7)0.009 (7)0.010 (6)0.026 (7)
C5230.082 (9)0.098 (10)0.107 (10)0.009 (8)0.045 (8)0.026 (8)
F30.235 (15)0.149 (11)0.303 (18)0.066 (10)0.063 (13)0.005 (11)
C1150.094 (9)0.071 (8)0.093 (9)0.013 (7)0.013 (7)0.027 (7)
C4140.148 (16)0.178 (19)0.062 (9)0.040 (14)0.038 (9)0.051 (12)
C4120.086 (8)0.126 (11)0.042 (6)0.013 (8)0.007 (5)0.009 (7)
F20.175 (10)0.327 (17)0.116 (8)0.025 (10)0.060 (7)0.094 (10)
C5150.085 (9)0.120 (11)0.087 (9)0.035 (8)0.020 (7)0.040 (8)
C1130.071 (9)0.107 (12)0.135 (13)0.041 (8)0.021 (9)0.009 (10)
C2240.112 (11)0.097 (11)0.093 (10)0.023 (9)0.009 (8)0.058 (9)
C5130.061 (7)0.146 (13)0.080 (9)0.009 (8)0.002 (6)0.039 (9)
C4240.142 (15)0.078 (10)0.128 (14)0.042 (11)0.064 (12)0.045 (10)
F10.286 (16)0.123 (9)0.232 (14)0.068 (10)0.072 (12)0.002 (9)
C2230.131 (12)0.062 (8)0.098 (11)0.016 (8)0.022 (9)0.006 (7)
C3150.090 (9)0.059 (7)0.115 (11)0.005 (7)0.024 (8)0.018 (7)
C6160.093 (9)0.060 (7)0.089 (9)0.007 (6)0.027 (7)0.008 (6)
C3140.078 (9)0.082 (9)0.104 (10)0.037 (7)0.025 (8)0.027 (8)
C4130.117 (12)0.182 (18)0.045 (7)0.019 (12)0.013 (7)0.016 (10)
C3130.074 (8)0.112 (11)0.085 (9)0.041 (8)0.002 (7)0.015 (8)
C4260.095 (9)0.059 (7)0.069 (7)0.013 (6)0.023 (6)0.006 (6)
C5240.094 (10)0.066 (8)0.111 (11)0.007 (7)0.012 (8)0.025 (8)
C6130.076 (8)0.082 (9)0.116 (11)0.016 (7)0.008 (7)0.028 (8)
C6140.125 (13)0.069 (9)0.114 (12)0.025 (9)0.014 (10)0.024 (8)
C4250.171 (16)0.048 (8)0.103 (11)0.007 (9)0.046 (11)0.007 (7)
F60.113 (8)0.37 (2)0.197 (12)0.078 (11)0.051 (8)0.079 (13)
C6150.148 (14)0.055 (8)0.112 (12)0.018 (8)0.039 (10)0.003 (7)
Cl30.141 (4)0.123 (4)0.164 (4)0.024 (3)0.049 (3)0.035 (3)
Cl40.207 (6)0.142 (4)0.154 (5)0.023 (4)0.016 (4)0.024 (4)
Cl60.260 (10)0.430 (16)0.226 (9)0.078 (10)0.033 (8)0.014 (10)
C6230.082 (8)0.089 (9)0.059 (7)0.005 (7)0.014 (6)0.016 (6)
Cl50.424 (17)0.348 (14)0.278 (12)0.195 (13)0.014 (11)0.027 (11)
C1240.084 (9)0.099 (10)0.079 (9)0.031 (8)0.008 (7)0.030 (8)
C3240.090 (9)0.056 (7)0.112 (10)0.024 (7)0.037 (8)0.002 (7)
C4150.170 (17)0.113 (13)0.116 (14)0.027 (11)0.063 (12)0.048 (11)
C040.28 (3)0.41 (4)0.143 (19)0.17 (3)0.14 (2)0.12 (2)
C050.52 (6)0.37 (5)0.079 (15)0.23 (4)0.06 (3)0.03 (2)
Geometric parameters (Å, º) top
Ag3—P32.477 (2)C322—H32B0.9300
Ag3—P22.488 (2)C625—C6241.372 (16)
Ag3—Cl12.762 (2)C625—H62C0.9300
Ag3—Cl22.781 (2)C514—C5151.335 (17)
Ag3—Ag23.3544 (9)C514—C5131.339 (16)
Ag2—P52.465 (2)C514—H51A0.9300
Ag2—P42.475 (2)C116—C1151.369 (15)
Ag2—Cl12.690 (2)C116—H11A0.9300
Ag2—Cl22.852 (2)C122—C1231.393 (15)
Ag1—P62.484 (2)C122—H12C0.9300
Ag1—P12.506 (2)C312—C3131.388 (15)
Ag1—Cl22.705 (2)C312—H31A0.9300
Ag1—Cl12.794 (2)C416—C4151.423 (17)
Sb1—F51.794 (10)C416—H41A0.9300
Sb1—F61.797 (10)C325—C3241.362 (16)
Sb1—F11.804 (11)C325—H32C0.9300
Sb1—F31.812 (12)C213—C2141.384 (15)
Sb1—F41.829 (8)C213—H21D0.9300
Sb1—F21.855 (9)C512—C5131.388 (15)
P2—C021.839 (8)C512—H51B0.9300
P2—C2111.845 (9)C112—C1131.398 (17)
P2—C2211.853 (9)C112—H11B0.9300
C01—P41.838 (7)C316—C3151.411 (15)
C01—P31.847 (8)C316—H31B0.9300
C01—H01A0.9700C222—C2231.408 (15)
C01—H01B0.9700C222—H22B0.9300
P5—C5111.845 (9)C422—C4231.397 (17)
P5—C5211.846 (9)C422—H42A0.9300
P5—C031.855 (8)C516—C5151.390 (15)
P6—C6111.842 (9)C516—H51C0.9300
P6—C6211.852 (9)C423—C4241.39 (2)
P6—C031.866 (8)C423—H42B0.9300
P4—C4111.828 (10)C323—C3241.353 (15)
P4—C4211.842 (10)C323—H32D0.9300
P3—C3111.834 (9)C114—C1151.353 (18)
P3—C3211.853 (9)C114—C1131.373 (19)
P1—C1211.839 (9)C114—H11C0.9300
P1—C1111.844 (9)C123—C1241.370 (17)
P1—C021.843 (8)C123—H12D0.9300
C211—C2161.379 (12)C525—C5241.356 (17)
C211—C2121.398 (12)C525—H52C0.9300
C621—C6261.380 (13)C624—C6231.356 (16)
C621—C6221.406 (12)C624—H62D0.9300
C121—C1261.396 (13)C214—H21E0.9300
C121—C1221.410 (13)C225—C2241.375 (18)
C521—C5221.381 (13)C225—H22C0.9300
C521—C5261.385 (13)C523—C5241.382 (17)
C421—C4221.398 (14)C523—H52D0.9300
C421—C4261.404 (14)C115—H11D0.9300
C321—C3261.364 (12)C414—C4131.37 (2)
C321—C3221.394 (12)C414—C4151.41 (2)
C511—C5161.360 (13)C414—H41B0.9300
C511—C5121.373 (13)C412—C4131.384 (17)
C221—C2221.387 (13)C412—H41C0.9300
C221—C2261.395 (12)C515—H51D0.9300
C212—C2131.385 (13)C113—H11E0.9300
C212—H21A0.9300C224—C2231.380 (18)
C03—H03A0.9700C224—H22D0.9300
C03—H03B0.9700C513—H51E0.9300
C611—C6121.376 (13)C424—C4251.37 (2)
C611—C6161.379 (14)C424—H42C0.9300
C126—C1251.393 (15)C223—H22E0.9300
C126—H12A0.9300C315—C3141.370 (17)
C522—C5231.406 (16)C315—H31C0.9300
C522—H52A0.9300C616—C6151.421 (17)
C216—C2151.386 (14)C616—H61B0.9300
C216—H21B0.9300C314—C3131.362 (18)
C02—H02A0.9700C314—H31D0.9300
C02—H02B0.9700C413—H41D0.9300
C622—C6231.379 (14)C313—H31E0.9300
C622—H62A0.9300C426—C4251.403 (17)
C411—C4161.383 (16)C426—H42D0.9300
C411—C4121.408 (15)C524—H52E0.9300
C111—C1121.381 (13)C613—C6141.373 (19)
C111—C1161.405 (13)C613—H61C0.9300
C226—C2251.391 (15)C614—C6151.344 (19)
C226—H22A0.9300C614—H61D0.9300
C626—C6251.404 (14)C425—H42E0.9300
C626—H62B0.9300C615—H61E0.9300
C311—C3161.386 (13)Cl3—C041.725 (5)
C311—C3121.392 (12)Cl4—C041.713 (5)
C326—C3251.408 (15)Cl6—C051.718 (5)
C326—H32A0.9300C623—H62E0.9300
C215—C2141.369 (15)Cl5—C051.721 (5)
C215—H21C0.9300C124—H12E0.9300
C526—C5251.382 (15)C324—H32E0.9300
C526—H52B0.9300C415—H41E0.9300
C612—C6131.409 (15)C04—H04A0.9700
C612—H61A0.9300C04—H04B0.9700
C125—C1241.370 (17)C05—H05B0.9700
C125—H12B0.9300C05—H05A0.9700
C322—C3231.379 (14)
P3—Ag3—P2126.79 (7)C525—C526—H52B119.6
P3—Ag3—Cl1122.55 (7)C521—C526—H52B119.6
P2—Ag3—Cl1104.32 (7)C611—C612—C613120.9 (11)
P3—Ag3—Cl295.93 (7)C611—C612—H61A119.6
P2—Ag3—Cl2110.31 (7)C613—C612—H61A119.6
Cl1—Ag3—Cl288.13 (6)C124—C125—C126120.4 (12)
P3—Ag3—Ag286.27 (5)C124—C125—H12B119.8
P2—Ag3—Ag2146.56 (5)C126—C125—H12B119.8
Cl1—Ag3—Ag251.06 (5)C323—C322—C321120.1 (9)
Cl2—Ag3—Ag254.43 (5)C323—C322—H32B119.9
P5—Ag2—P4125.59 (8)C321—C322—H32B119.9
P5—Ag2—Cl1108.65 (8)C624—C625—C626120.9 (11)
P4—Ag2—Cl1116.33 (8)C624—C625—H62C119.6
P5—Ag2—Cl2106.01 (7)C626—C625—H62C119.6
P4—Ag2—Cl2104.51 (7)C515—C514—C513119.0 (11)
Cl1—Ag2—Cl288.10 (7)C515—C514—H51A120.5
P5—Ag2—Ag3147.05 (6)C513—C514—H51A120.5
P4—Ag2—Ag386.56 (6)C115—C116—C111121.4 (11)
Cl1—Ag2—Ag353.00 (5)C115—C116—H11A119.3
Cl2—Ag2—Ag352.48 (5)C111—C116—H11A119.3
P6—Ag1—P1131.40 (8)C123—C122—C121119.9 (11)
P6—Ag1—Cl2112.40 (7)C123—C122—H12C120.1
P1—Ag1—Cl2102.62 (7)C121—C122—H12C120.1
P6—Ag1—Cl1102.58 (7)C313—C312—C311121.6 (11)
P1—Ag1—Cl1110.88 (7)C313—C312—H31A119.2
Cl2—Ag1—Cl188.98 (7)C311—C312—H31A119.2
F5—Sb1—F6176.1 (8)C411—C416—C415122.5 (14)
F5—Sb1—F187.3 (7)C411—C416—H41A118.7
F6—Sb1—F196.5 (8)C415—C416—H41A118.7
F5—Sb1—F390.8 (7)C324—C325—C326120.6 (11)
F6—Sb1—F385.4 (8)C324—C325—H32C119.7
F1—Sb1—F3177.9 (8)C326—C325—H32C119.7
F5—Sb1—F491.2 (6)C212—C213—C214119.5 (10)
F6—Sb1—F489.4 (6)C212—C213—H21D120.3
F1—Sb1—F493.5 (6)C214—C213—H21D120.3
F3—Sb1—F487.6 (6)C511—C512—C513122.1 (10)
F5—Sb1—F292.0 (6)C511—C512—H51B118.9
F6—Sb1—F287.4 (6)C513—C512—H51B118.9
F1—Sb1—F287.0 (6)C111—C112—C113120.3 (12)
F3—Sb1—F292.0 (7)C111—C112—H11B119.9
F4—Sb1—F2176.8 (5)C113—C112—H11B119.9
C02—P2—C211101.1 (4)C311—C316—C315119.7 (11)
C02—P2—C221105.6 (4)C311—C316—H31B120.2
C211—P2—C221103.5 (4)C315—C316—H31B120.2
C02—P2—Ag3113.0 (3)C221—C222—C223119.1 (10)
C211—P2—Ag3114.9 (3)C221—C222—H22B120.5
C221—P2—Ag3116.9 (3)C223—C222—H22B120.5
P4—C01—P3113.6 (4)C421—C422—C423120.1 (12)
P4—C01—H01A108.9C421—C422—H42A119.9
P3—C01—H01A108.9C423—C422—H42A119.9
P4—C01—H01B108.9C511—C516—C515121.6 (11)
P3—C01—H01B108.9C511—C516—H51C119.2
H01A—C01—H01B107.7C515—C516—H51C119.2
Ag1—Cl2—Ag378.54 (6)C424—C423—C422119.3 (14)
Ag1—Cl2—Ag277.07 (6)C424—C423—H42B120.4
Ag3—Cl2—Ag273.09 (6)C422—C423—H42B120.4
C511—P5—C521102.5 (4)C324—C323—C322121.4 (11)
C511—P5—C03104.2 (4)C324—C323—H32D119.3
C521—P5—C03103.8 (4)C322—C323—H32D119.3
C511—P5—Ag2112.6 (3)C115—C114—C113118.0 (12)
C521—P5—Ag2116.8 (3)C115—C114—H11C121.0
C03—P5—Ag2115.4 (3)C113—C114—H11C121.0
Ag2—Cl1—Ag375.94 (6)C124—C123—C122121.1 (11)
Ag2—Cl1—Ag178.31 (6)C124—C123—H12D119.5
Ag3—Cl1—Ag177.37 (6)C122—C123—H12D119.5
C611—P6—C621102.7 (4)C524—C525—C526121.6 (12)
C611—P6—C03105.8 (4)C524—C525—H52C119.2
C621—P6—C03102.1 (4)C526—C525—H52C119.2
C611—P6—Ag1113.6 (3)C623—C624—C625120.7 (11)
C621—P6—Ag1112.9 (3)C623—C624—H62D119.7
C03—P6—Ag1118.0 (3)C625—C624—H62D119.7
C411—P4—C01104.1 (4)C215—C214—C213119.5 (9)
C411—P4—C421105.9 (5)C215—C214—H21E120.3
C01—P4—C421104.1 (4)C213—C214—H21E120.3
C411—P4—Ag2109.4 (3)C224—C225—C226119.8 (11)
C01—P4—Ag2111.3 (3)C224—C225—H22C120.1
C421—P4—Ag2120.7 (3)C226—C225—H22C120.1
C311—P3—C01106.9 (4)C524—C523—C522120.7 (11)
C311—P3—C321106.0 (4)C524—C523—H52D119.6
C01—P3—C321100.3 (4)C522—C523—H52D119.6
C311—P3—Ag3116.2 (3)C114—C115—C116121.8 (13)
C01—P3—Ag3116.8 (3)C114—C115—H11D119.1
C321—P3—Ag3109.0 (3)C116—C115—H11D119.1
C121—P1—C111103.6 (4)C413—C414—C415120.5 (14)
C121—P1—C02104.3 (4)C413—C414—H41B119.7
C111—P1—C02100.7 (4)C415—C414—H41B119.7
C121—P1—Ag1113.5 (3)C413—C412—C411122.1 (14)
C111—P1—Ag1114.9 (3)C413—C412—H41C119.0
C02—P1—Ag1118.1 (3)C411—C412—H41C119.0
C216—C211—C212118.3 (8)C514—C515—C516121.0 (11)
C216—C211—P2118.0 (7)C514—C515—H51D119.5
C212—C211—P2123.7 (7)C516—C515—H51D119.5
C626—C621—C622117.7 (9)C114—C113—C112121.6 (12)
C626—C621—P6124.1 (7)C114—C113—H11E119.2
C622—C621—P6118.2 (7)C112—C113—H11E119.2
C126—C121—C122117.9 (9)C223—C224—C225120.1 (12)
C126—C121—P1118.8 (7)C223—C224—H22D120.0
C122—C121—P1123.3 (8)C225—C224—H22D120.0
C522—C521—C526118.3 (9)C514—C513—C512120.2 (12)
C522—C521—P5121.6 (8)C514—C513—H51E119.9
C526—C521—P5120.0 (7)C512—C513—H51E119.9
C422—C421—C426120.2 (10)C425—C424—C423120.7 (14)
C422—C421—P4121.4 (8)C425—C424—H42C119.6
C426—C421—P4118.3 (8)C423—C424—H42C119.6
C326—C321—C322118.6 (9)C224—C223—C222120.7 (12)
C326—C321—P3124.3 (7)C224—C223—H22E119.6
C322—C321—P3117.1 (7)C222—C223—H22E119.6
C516—C511—C512115.8 (9)C314—C315—C316120.5 (12)
C516—C511—P5126.6 (8)C314—C315—H31C119.7
C512—C511—P5117.6 (7)C316—C315—H31C119.7
C222—C221—C226119.5 (9)C611—C616—C615119.9 (11)
C222—C221—P2118.6 (7)C611—C616—H61B120.1
C226—C221—P2121.8 (7)C615—C616—H61B120.1
C213—C212—C211121.2 (9)C313—C314—C315120.3 (11)
C213—C212—H21A119.4C313—C314—H31D119.8
C211—C212—H21A119.4C315—C314—H31D119.8
P5—C03—P6113.6 (4)C414—C413—C412120.4 (15)
P5—C03—H03A108.8C414—C413—H41D119.8
P6—C03—H03A108.8C412—C413—H41D119.8
P5—C03—H03B108.8C314—C313—C312119.7 (12)
P6—C03—H03B108.8C314—C313—H31E120.2
H03A—C03—H03B107.7C312—C313—H31E120.2
C612—C611—C616118.6 (9)C425—C426—C421118.4 (13)
C612—C611—P6123.8 (8)C425—C426—H42D120.8
C616—C611—P6117.6 (8)C421—C426—H42D120.8
C121—C126—C125120.9 (10)C525—C524—C523118.5 (12)
C121—C126—H12A119.6C525—C524—H52E120.7
C125—C126—H12A119.6C523—C524—H52E120.7
C521—C522—C523120.0 (11)C614—C613—C612119.6 (12)
C521—C522—H52A120.0C614—C613—H61C120.2
C523—C522—H52A120.0C612—C613—H61C120.2
C211—C216—C215120.3 (10)C615—C614—C613120.2 (13)
C211—C216—H21B119.9C615—C614—H61D119.9
C215—C216—H21B119.9C613—C614—H61D119.9
P2—C02—P1116.7 (5)C424—C425—C426121.1 (14)
P2—C02—H02A108.1C424—C425—H42E119.4
P1—C02—H02A108.1C426—C425—H42E119.4
P2—C02—H02B108.1C614—C615—C616120.6 (13)
P1—C02—H02B108.1C614—C615—H61E119.7
H02A—C02—H02B107.3C616—C615—H61E119.7
C623—C622—C621122.3 (10)C624—C623—C622119.0 (11)
C623—C622—H62A118.9C624—C623—H62E120.5
C621—C622—H62A118.9C622—C623—H62E120.5
C416—C411—C412116.8 (10)C125—C124—C123119.8 (11)
C416—C411—P4117.6 (8)C125—C124—H12E120.1
C412—C411—P4125.2 (10)C123—C124—H12E120.1
C112—C111—C116116.8 (9)C323—C324—C325119.2 (11)
C112—C111—P1118.1 (8)C323—C324—H32E120.4
C116—C111—P1125.0 (7)C325—C324—H32E120.4
C225—C226—C221120.7 (10)C416—C415—C414117.6 (16)
C225—C226—H22A119.7C416—C415—H41E121.2
C221—C226—H22A119.7C414—C415—H41E121.2
C621—C626—C625119.5 (10)Cl4—C04—Cl3113.2 (5)
C621—C626—H62B120.3Cl4—C04—H04A108.9
C625—C626—H62B120.3Cl3—C04—H04A108.9
C316—C311—C312118.2 (9)Cl4—C04—H04B108.9
C316—C311—P3118.0 (7)Cl3—C04—H04B108.9
C312—C311—P3123.8 (8)H04A—C04—H04B107.8
C321—C326—C325120.0 (10)Cl5—C05—Cl6111.3 (6)
C321—C326—H32A120.0Cl5—C05—H05B109.4
C325—C326—H32A120.0Cl6—C05—H05B109.4
C214—C215—C216121.3 (10)Cl5—C05—H05A109.3
C214—C215—H21C119.4Cl6—C05—H05A109.3
C216—C215—H21C119.4H05B—C05—H05A108.0
C525—C526—C521120.8 (10)
 

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