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The title compound, 3,4,5,6-tetra­methoxy­cyclo­hexane-1,2-diyl­dioxy­bis­(methyl­di­phenyl­phospho­nium) diiodide, C36­H44­O6­P22+·­2I-, was prepared from a New Zealand natural product, D-chiro-inositol, in order to develop new catalytic metal complexes. The inositol ring retains its usual chair conformation with only minor perturbations caused by the bound di­phenyl­methyl­phosphines. Crystal-packing forces are provided by C-H...I cation-anion interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100011574/ta1297sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100011574/ta1297Isup2.hkl
Contains datablock I

CCDC reference: 153921

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996) and SADABS (Sheldrick, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: WinGX (Farrugia, 1999), ORTEP-3 (Farrugia, 1997) based on ORTEPII (Johnson, 1976).

(I) top
Crystal data top
C36H44O6P22+·2IDx = 1.534 Mg m3
Mr = 888.45Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121Cell parameters from 8192 reflections
a = 10.306 (3) Åθ = 2.6–27.5°
b = 12.953 (4) ŵ = 1.76 mm1
c = 28.826 (9) ÅT = 163 K
V = 3848 (2) Å3Block, colourless
Z = 40.25 × 0.23 × 0.16 mm
F(000) = 1776
Data collection top
CCD area detector
diffractometer
8629 independent reflections
Radiation source: fine-focus sealed tube7920 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
Detector resolution: 8.192 pixels mm-1θmax = 27.9°, θmin = 2.1°
phi and ω scansh = 813
Absorption correction: multi-scan
(Blessing, 1995)
k = 1616
Tmin = 0.647, Tmax = 0.755l = 3637
51053 measured reflections
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)] = 0.023H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.051 w = 1/[σ2(Fo2) + (0.0295P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.002
8629 reflectionsΔρmax = 0.80 e Å3
415 parametersΔρmin = 0.55 e Å3
0 restraintsAbsolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.009 (10)
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
I10.895228 (17)0.464739 (14)0.996533 (6)0.02801 (5)
I20.266148 (18)0.492371 (13)0.756443 (6)0.03257 (5)
P10.95141 (7)0.65523 (5)0.85405 (2)0.02222 (14)
P21.18966 (7)0.29144 (5)0.90589 (2)0.02139 (14)
O10.95197 (17)0.53972 (14)0.87088 (6)0.0237 (4)
O21.09757 (18)0.36453 (13)0.87691 (6)0.0230 (4)
O30.97514 (19)0.17180 (14)0.86722 (6)0.0272 (4)
O40.7128 (2)0.24993 (15)0.88158 (7)0.0329 (5)
O50.7783 (2)0.35807 (16)0.76729 (7)0.0379 (5)
O60.72620 (17)0.53935 (14)0.81902 (6)0.0277 (4)
C10.9130 (2)0.44944 (19)0.84421 (9)0.0228 (5)
H10.95370.45100.81270.027*
C20.9585 (2)0.3543 (2)0.87104 (9)0.0208 (5)
H20.91510.35190.90210.025*
C30.9227 (3)0.2577 (2)0.84278 (9)0.0243 (6)
H30.96380.26210.81140.029*
C40.7757 (3)0.2526 (2)0.83745 (9)0.0277 (6)
H40.75150.18990.81920.033*
C50.7254 (3)0.3495 (2)0.81278 (9)0.0306 (6)
H50.62860.34680.81090.037*
C60.7666 (3)0.44507 (19)0.84010 (9)0.0245 (5)
H60.72850.44100.87200.029*
C100.9680 (3)0.6669 (2)0.79251 (9)0.0312 (6)
H10A1.04280.62630.78210.037*
H10B0.98100.73960.78430.037*
H10C0.88920.64120.77740.037*
C201.1142 (3)0.2289 (2)0.95374 (8)0.0269 (6)
H20A1.06840.28020.97260.032*
H20B1.18040.19460.97270.032*
H20C1.05210.17750.94230.032*
C310.9915 (3)0.0811 (2)0.83915 (12)0.0406 (8)
H31A1.02790.02530.85810.053*
H31B1.05060.09640.81340.053*
H31C0.90710.05960.82680.053*
C410.6870 (4)0.1491 (3)0.89990 (14)0.0522 (10)
H41A0.64530.15560.93030.068*
H41B0.76880.11120.90320.068*
H41C0.62940.11170.87870.068*
C510.6993 (4)0.3109 (3)0.73230 (11)0.0532 (10)
H51A0.74030.31990.70190.069*
H51B0.61340.34340.73210.069*
H51C0.69010.23700.73900.069*
C610.5942 (3)0.5642 (2)0.82917 (11)0.0372 (7)
H61A0.57080.62890.81370.048*
H61B0.58350.57210.86280.048*
H61C0.53770.50860.81800.048*
C1111.0912 (3)0.7082 (2)0.88201 (9)0.0246 (6)
C1121.0845 (3)0.7991 (2)0.90796 (11)0.0366 (7)
H1121.00420.83450.91110.044*
C1131.1942 (3)0.8373 (3)0.92887 (12)0.0450 (8)
H1131.18990.89950.94620.054*
C1141.3097 (3)0.7861 (3)0.92477 (12)0.0444 (8)
H1141.38460.81160.94020.053*
C1151.3180 (3)0.6974 (3)0.89831 (13)0.0465 (9)
H1151.39900.66310.89510.056*
C1161.2088 (3)0.6581 (2)0.87634 (11)0.0368 (7)
H1161.21470.59780.85770.044*
C1210.8156 (3)0.7258 (2)0.87562 (9)0.0233 (6)
C1220.7643 (3)0.8066 (2)0.84944 (10)0.0300 (6)
H1220.79080.81600.81820.036*
C1230.6749 (3)0.8726 (2)0.86906 (11)0.0360 (7)
H1230.64040.92810.85140.043*
C1240.6352 (3)0.8577 (2)0.91474 (11)0.0357 (7)
H1240.57460.90380.92840.043*
C1250.6842 (3)0.7754 (2)0.94034 (11)0.0360 (7)
H1250.65510.76480.97120.043*
C1260.7742 (3)0.7093 (2)0.92144 (9)0.0301 (6)
H1260.80780.65340.93910.036*
C2111.2674 (3)0.2035 (2)0.86730 (9)0.0245 (5)
C2121.2999 (3)0.2409 (2)0.82289 (10)0.0399 (8)
H2121.27870.30950.81410.048*
C2131.3633 (4)0.1758 (3)0.79233 (11)0.0513 (10)
H2131.38630.20010.76240.062*
C2141.3937 (3)0.0745 (3)0.80511 (11)0.0466 (8)
H2141.43720.03030.78390.056*
C2151.3605 (3)0.0394 (2)0.84817 (10)0.0388 (7)
H2151.38130.02960.85660.047*
C2161.2970 (3)0.1025 (2)0.88008 (9)0.0305 (6)
H2161.27430.07720.90990.037*
C2211.3098 (3)0.3760 (2)0.93001 (9)0.0251 (6)
C2221.4404 (3)0.3571 (2)0.92423 (9)0.0298 (6)
H2221.46850.30320.90420.036*
C2231.5301 (3)0.4164 (2)0.94754 (10)0.0352 (7)
H2231.62010.40290.94360.042*
C2241.4914 (3)0.4942 (3)0.97617 (10)0.0423 (8)
H2241.55450.53450.99200.051*
C2251.3614 (3)0.5148 (3)0.98232 (12)0.0491 (9)
H2251.33490.56931.00220.059*
C2261.2692 (3)0.4558 (2)0.95945 (11)0.0397 (7)
H2261.17940.46930.96370.048*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I10.02670 (8)0.03420 (10)0.02314 (8)0.00227 (7)0.00374 (7)0.00260 (7)
I20.03763 (10)0.03190 (10)0.02819 (9)0.00301 (8)0.00024 (7)0.00211 (7)
P10.0237 (4)0.0222 (3)0.0207 (3)0.0025 (3)0.0001 (3)0.0000 (3)
P20.0208 (3)0.0232 (3)0.0202 (3)0.0038 (3)0.0006 (3)0.0003 (3)
O10.0275 (9)0.0198 (9)0.0238 (9)0.0014 (8)0.0040 (7)0.0014 (7)
O20.0201 (9)0.0240 (10)0.0248 (9)0.0017 (8)0.0037 (8)0.0006 (7)
O30.0293 (11)0.0227 (10)0.0296 (10)0.0019 (8)0.0063 (8)0.0029 (8)
O40.0304 (11)0.0305 (11)0.0376 (12)0.0064 (9)0.0027 (9)0.0004 (9)
O50.0481 (13)0.0398 (11)0.0257 (10)0.0005 (10)0.0113 (9)0.0047 (8)
O60.0240 (9)0.0274 (9)0.0317 (9)0.0064 (8)0.0046 (8)0.0022 (8)
C10.0223 (13)0.0225 (13)0.0236 (12)0.0014 (10)0.0039 (10)0.0053 (10)
C20.0173 (12)0.0230 (13)0.0221 (13)0.0013 (10)0.0031 (10)0.0016 (10)
C30.0271 (16)0.0212 (13)0.0246 (13)0.0036 (11)0.0033 (11)0.0024 (11)
C40.0281 (14)0.0259 (14)0.0291 (14)0.0022 (12)0.0058 (12)0.0056 (11)
C50.0284 (15)0.0309 (15)0.0325 (15)0.0017 (12)0.0078 (12)0.0050 (12)
C60.0228 (13)0.0250 (14)0.0255 (13)0.0041 (11)0.0024 (10)0.0012 (10)
C100.0344 (16)0.0380 (17)0.0212 (13)0.0040 (13)0.0036 (12)0.0020 (12)
C200.0315 (15)0.0313 (14)0.0180 (12)0.0020 (12)0.0014 (11)0.0028 (10)
C310.0457 (19)0.0220 (15)0.054 (2)0.0057 (14)0.0156 (16)0.0078 (14)
C410.048 (2)0.0391 (19)0.069 (3)0.0022 (17)0.0160 (19)0.0140 (18)
C510.080 (3)0.0404 (19)0.0392 (19)0.0116 (18)0.0310 (18)0.0115 (15)
C610.0233 (15)0.0404 (18)0.0480 (18)0.0108 (13)0.0056 (13)0.0014 (13)
C1110.0239 (14)0.0237 (14)0.0263 (14)0.0030 (11)0.0006 (12)0.0006 (11)
C1120.0267 (16)0.0354 (17)0.0477 (18)0.0040 (13)0.0028 (14)0.0079 (14)
C1130.0402 (19)0.0441 (19)0.051 (2)0.0126 (15)0.0094 (15)0.0225 (16)
C1140.0307 (17)0.056 (2)0.047 (2)0.0151 (15)0.0033 (15)0.0107 (17)
C1150.0239 (16)0.057 (2)0.059 (2)0.0009 (15)0.0021 (15)0.0150 (18)
C1160.0307 (17)0.0387 (17)0.0411 (18)0.0029 (14)0.0013 (14)0.0139 (14)
C1210.0201 (13)0.0230 (13)0.0269 (14)0.0017 (10)0.0030 (11)0.0020 (11)
C1220.0276 (15)0.0293 (15)0.0331 (15)0.0045 (12)0.0014 (12)0.0048 (11)
C1230.0311 (16)0.0255 (16)0.051 (2)0.0039 (12)0.0032 (14)0.0032 (14)
C1240.0277 (17)0.0297 (16)0.0498 (19)0.0007 (12)0.0066 (13)0.0117 (14)
C1250.0364 (17)0.0371 (17)0.0344 (16)0.0070 (14)0.0065 (13)0.0045 (13)
C1260.0303 (15)0.0328 (15)0.0272 (14)0.0016 (13)0.0002 (12)0.0016 (11)
C2110.0246 (13)0.0267 (14)0.0223 (13)0.0040 (12)0.0018 (11)0.0043 (10)
C2120.058 (2)0.0289 (16)0.0330 (16)0.0017 (15)0.0093 (15)0.0025 (13)
C2130.075 (3)0.049 (2)0.0305 (17)0.0009 (18)0.0240 (17)0.0037 (15)
C2140.051 (2)0.0430 (19)0.0462 (19)0.0079 (17)0.0151 (17)0.0117 (15)
C2150.0406 (18)0.0325 (16)0.0434 (17)0.0129 (13)0.0028 (13)0.0055 (14)
C2160.0333 (16)0.0341 (16)0.0239 (14)0.0079 (13)0.0021 (12)0.0009 (11)
C2210.0230 (14)0.0291 (15)0.0234 (14)0.0015 (11)0.0057 (11)0.0013 (11)
C2220.0219 (14)0.0403 (17)0.0273 (14)0.0024 (12)0.0002 (11)0.0024 (12)
C2230.0252 (15)0.0508 (19)0.0295 (15)0.0005 (14)0.0028 (12)0.0054 (14)
C2240.0343 (16)0.054 (2)0.0384 (16)0.0119 (15)0.0123 (13)0.0057 (16)
C2250.0423 (19)0.048 (2)0.057 (2)0.0026 (15)0.0061 (15)0.0256 (17)
C2260.0273 (15)0.0426 (17)0.0493 (18)0.0033 (14)0.0046 (13)0.0191 (15)
Geometric parameters (Å, º) top
P1—O11.573 (2)C61—H61B0.9800
P1—C1211.784 (3)C61—H61C0.9800
P1—C1111.788 (3)C111—C1161.384 (4)
P1—C101.788 (3)C111—C1121.397 (4)
P2—O21.5796 (18)C112—C1131.373 (4)
P2—C201.779 (3)C112—H1120.9500
P2—C2111.783 (3)C113—C1141.368 (5)
P2—C2211.794 (3)C113—H1130.9500
O1—C11.456 (3)C114—C1151.381 (5)
O2—C21.449 (3)C114—H1140.9500
O3—C31.424 (3)C115—C1161.388 (4)
O3—C311.437 (3)C115—H1150.9500
O4—C41.428 (3)C116—H1160.9500
O4—C411.433 (4)C121—C1221.394 (4)
O5—C51.425 (3)C121—C1261.405 (4)
O5—C511.433 (4)C122—C1231.378 (4)
O6—C61.426 (3)C122—H1220.9500
O6—C611.428 (3)C123—C1241.392 (4)
C1—C61.514 (4)C123—H1230.9500
C1—C21.528 (3)C124—C1251.391 (4)
C1—H11.0000C124—H1240.9500
C2—C31.538 (4)C125—C1261.375 (4)
C2—H21.0000C125—H1250.9500
C3—C41.525 (4)C126—H1260.9500
C3—H31.0000C211—C2161.392 (4)
C4—C51.532 (4)C211—C2121.409 (4)
C4—H41.0000C212—C2131.383 (4)
C5—C61.527 (4)C212—H2120.9500
C5—H51.0000C213—C2141.398 (5)
C6—H61.0000C213—H2130.9500
C10—H10A0.9800C214—C2151.365 (4)
C10—H10B0.9800C214—H2140.9500
C10—H10C0.9800C215—C2161.394 (4)
C20—H20A0.9800C215—H2150.9500
C20—H20B0.9800C216—H2160.9500
C20—H20C0.9800C221—C2221.378 (4)
C31—H31A0.9800C221—C2261.401 (4)
C31—H31B0.9800C222—C2231.377 (4)
C31—H31C0.9800C222—H2220.9500
C41—H41A0.9800C223—C2241.362 (4)
C41—H41B0.9800C223—H2230.9500
C41—H41C0.9800C224—C2251.378 (4)
C51—H51A0.9800C224—H2240.9500
C51—H51B0.9800C225—C2261.386 (4)
C51—H51C0.9800C225—H2250.9500
C61—H61A0.9800C226—H2260.9500
O1—P1—C121112.52 (12)O5—C51—H51C109.5
O1—P1—C111102.88 (11)H51A—C51—H51C109.5
C121—P1—C111106.18 (13)H51B—C51—H51C109.5
O1—P1—C10112.71 (12)O6—C61—H61A109.5
C121—P1—C10112.16 (13)O6—C61—H61B109.5
C111—P1—C10109.75 (14)H61A—C61—H61B109.5
O2—P2—C20114.85 (12)O6—C61—H61C109.5
O2—P2—C211108.86 (11)H61A—C61—H61C109.5
C20—P2—C211112.92 (13)H61B—C61—H61C109.5
O2—P2—C221104.70 (11)C116—C111—C112120.1 (3)
C20—P2—C221106.23 (13)C116—C111—P1118.2 (2)
C211—P2—C221108.78 (13)C112—C111—P1121.7 (2)
C1—O1—P1126.88 (15)C113—C112—C111119.9 (3)
C2—O2—P2126.96 (16)C113—C112—H112120.1
C3—O3—C31113.9 (2)C111—C112—H112120.1
C4—O4—C41115.8 (2)C114—C113—C112120.2 (3)
C5—O5—C51113.4 (3)C114—C113—H113119.9
C6—O6—C61112.6 (2)C112—C113—H113119.9
O1—C1—C6110.3 (2)C113—C114—C115120.4 (3)
O1—C1—C2107.19 (19)C113—C114—H114119.8
C6—C1—C2108.4 (2)C115—C114—H114119.8
O1—C1—H1110.3C114—C115—C116120.4 (3)
C6—C1—H1110.3C114—C115—H115119.8
C2—C1—H1110.3C116—C115—H115119.8
O2—C2—C1106.8 (2)C111—C116—C115119.0 (3)
O2—C2—C3111.9 (2)C111—C116—H116120.5
C1—C2—C3108.3 (2)C115—C116—H116120.5
O2—C2—H2109.9C122—C121—C126120.5 (3)
C1—C2—H2109.9C122—C121—P1119.6 (2)
C3—C2—H2109.9C126—C121—P1119.2 (2)
O3—C3—C4113.2 (2)C123—C122—C121119.8 (3)
O3—C3—C2106.4 (2)C123—C122—H122120.1
C4—C3—C2109.1 (2)C121—C122—H122120.1
O3—C3—H3109.4C122—C123—C124119.9 (3)
C4—C3—H3109.4C122—C123—H123120.0
C2—C3—H3109.4C124—C123—H123120.0
O4—C4—C3111.2 (2)C125—C124—C123120.1 (3)
O4—C4—C5106.3 (2)C125—C124—H124120.0
C3—C4—C5110.3 (2)C123—C124—H124120.0
O4—C4—H4109.6C126—C125—C124120.8 (3)
C3—C4—H4109.6C126—C125—H125119.6
C5—C4—H4109.6C124—C125—H125119.6
O5—C5—C6107.8 (2)C125—C126—C121118.9 (3)
O5—C5—C4111.2 (2)C125—C126—H126120.6
C6—C5—C4109.3 (2)C121—C126—H126120.6
O5—C5—H5109.5C216—C211—C212120.8 (3)
C6—C5—H5109.5C216—C211—P2122.3 (2)
C4—C5—H5109.5C212—C211—P2117.0 (2)
O6—C6—C1107.0 (2)C213—C212—C211118.8 (3)
O6—C6—C5113.1 (2)C213—C212—H212120.6
C1—C6—C5110.4 (2)C211—C212—H212120.6
O6—C6—H6108.8C212—C213—C214120.7 (3)
C1—C6—H6108.8C212—C213—H213119.7
C5—C6—H6108.8C214—C213—H213119.7
P1—C10—H10A109.5C215—C214—C213119.7 (3)
P1—C10—H10B109.5C215—C214—H214120.1
H10A—C10—H10B109.5C213—C214—H214120.1
P1—C10—H10C109.5C214—C215—C216121.5 (3)
H10A—C10—H10C109.5C214—C215—H215119.3
H10B—C10—H10C109.5C216—C215—H215119.3
P2—C20—H20A109.5C211—C216—C215118.6 (3)
P2—C20—H20B109.5C211—C216—H216120.7
H20A—C20—H20B109.5C215—C216—H216120.7
P2—C20—H20C109.5C222—C221—C226119.8 (3)
H20A—C20—H20C109.5C222—C221—P2121.2 (2)
H20B—C20—H20C109.5C226—C221—P2118.6 (2)
O3—C31—H31A109.5C223—C222—C221119.8 (3)
O3—C31—H31B109.5C223—C222—H222120.1
H31A—C31—H31B109.5C221—C222—H222120.1
O3—C31—H31C109.5C224—C223—C222120.8 (3)
H31A—C31—H31C109.5C224—C223—H223119.6
H31B—C31—H31C109.5C222—C223—H223119.6
O4—C41—H41A109.5C223—C224—C225120.4 (3)
O4—C41—H41B109.5C223—C224—H224119.8
H41A—C41—H41B109.5C225—C224—H224119.8
O4—C41—H41C109.5C224—C225—C226119.9 (3)
H41A—C41—H41C109.5C224—C225—H225120.0
H41B—C41—H41C109.5C226—C225—H225120.0
O5—C51—H51A109.5C225—C226—C221119.3 (3)
O5—C51—H51B109.5C225—C226—H226120.3
H51A—C51—H51B109.5C221—C226—H226120.3
C121—P1—O1—C1101.7 (2)P1—C111—C112—C113180.0 (2)
C111—P1—O1—C1144.5 (2)C111—C112—C113—C1140.7 (5)
C10—P1—O1—C126.4 (2)C112—C113—C114—C1152.2 (5)
C20—P2—O2—C228.6 (2)C113—C114—C115—C1161.3 (6)
C211—P2—O2—C299.1 (2)C112—C111—C116—C1152.6 (5)
C221—P2—O2—C2144.7 (2)P1—C111—C116—C115179.1 (3)
P1—O1—C1—C674.6 (3)C114—C115—C116—C1111.1 (5)
P1—O1—C1—C2167.71 (17)O1—P1—C121—C122149.6 (2)
P2—O2—C2—C1174.48 (15)C111—P1—C121—C12298.6 (2)
P2—O2—C2—C367.2 (3)C10—P1—C121—C12221.3 (3)
O1—C1—C2—O257.4 (2)O1—P1—C121—C12639.6 (3)
C6—C1—C2—O2176.35 (19)C111—P1—C121—C12672.2 (3)
O1—C1—C2—C3178.0 (2)C10—P1—C121—C126168.0 (2)
C6—C1—C2—C363.0 (3)C126—C121—C122—C1231.9 (4)
C31—O3—C3—C480.8 (3)P1—C121—C122—C123168.8 (2)
C31—O3—C3—C2159.5 (2)C121—C122—C123—C1240.7 (5)
O2—C2—C3—O358.3 (3)C122—C123—C124—C1251.0 (5)
C1—C2—C3—O3175.8 (2)C123—C124—C125—C1261.5 (5)
O2—C2—C3—C4179.3 (2)C124—C125—C126—C1210.4 (5)
C1—C2—C3—C461.8 (3)C122—C121—C126—C1251.3 (4)
C41—O4—C4—C392.0 (3)P1—C121—C126—C125169.3 (2)
C41—O4—C4—C5147.9 (3)O2—P2—C211—C216145.8 (2)
O3—C3—C4—O459.8 (3)C20—P2—C211—C21617.0 (3)
C2—C3—C4—O458.4 (3)C221—P2—C211—C216100.7 (3)
O3—C3—C4—C5177.5 (2)O2—P2—C211—C21235.0 (3)
C2—C3—C4—C559.3 (3)C20—P2—C211—C212163.8 (2)
C51—O5—C5—C6148.5 (2)C221—P2—C211—C21278.5 (3)
C51—O5—C5—C491.7 (3)C216—C211—C212—C2130.8 (5)
O4—C4—C5—O5177.8 (2)P2—C211—C212—C213178.4 (3)
C3—C4—C5—O561.5 (3)C211—C212—C213—C2140.5 (6)
O4—C4—C5—C663.4 (3)C212—C213—C214—C2150.0 (6)
C3—C4—C5—C657.3 (3)C213—C214—C215—C2160.2 (5)
C61—O6—C6—C1156.9 (2)C212—C211—C216—C2150.6 (4)
C61—O6—C6—C581.3 (3)P2—C211—C216—C215178.6 (2)
O1—C1—C6—O657.4 (2)C214—C215—C216—C2110.1 (5)
C2—C1—C6—O6174.43 (19)O2—P2—C221—C222127.0 (2)
O1—C1—C6—C5179.1 (2)C20—P2—C221—C222111.0 (2)
C2—C1—C6—C562.1 (3)C211—P2—C221—C22210.8 (3)
O5—C5—C6—O657.8 (3)O2—P2—C221—C22660.1 (3)
C4—C5—C6—O6178.7 (2)C20—P2—C221—C22661.8 (3)
O5—C5—C6—C162.1 (3)C211—P2—C221—C226176.4 (2)
C4—C5—C6—C158.9 (3)C226—C221—C222—C2230.2 (4)
O1—P1—C111—C11652.9 (3)P2—C221—C222—C223172.6 (2)
C121—P1—C111—C116171.3 (2)C221—C222—C223—C2240.3 (4)
C10—P1—C111—C11667.3 (3)C222—C223—C224—C2250.1 (5)
O1—P1—C111—C112128.8 (2)C223—C224—C225—C2260.3 (5)
C121—P1—C111—C11210.4 (3)C224—C225—C226—C2210.4 (5)
C10—P1—C111—C112111.0 (2)C222—C221—C226—C2250.2 (5)
C116—C111—C112—C1131.7 (5)P2—C221—C226—C225173.1 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10—H10A···I2i0.982.983.954 (3)176
C212—H212···I2i0.952.903.795 (3)158
C216—H216···I1ii0.953.023.799 (3)140
Symmetry codes: (i) x+1, y, z; (ii) x+1/2, y+1/2, z+2.
 

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