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In the title compound, [AuI(C28H28OP2)]·H2O, the 1-(di­phenyl­phosphino)-4-(diphenyl­phosphinoyl)butane (dppbO) ligand coordinates through the phospho­rus donor to give a linear two-coordinate P—Au—I gold(I) complex. Pairs of [AuI(dppbO)] molecules are linked by symmetric tris-water hydrogen-bond interactions. These dimers associate in zigzag fashion through intermolecular Au...Au interactions between mutually perpendicular P—Au—I groups.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680403137X/tk6200sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680403137X/tk6200Isup2.hkl
Contains datablock I

CCDC reference: 262231

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.033
  • wR factor = 0.090
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ? PLAT057_ALERT_3_A Correction for Absorption Required RT(exp) ... 2.26
Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT432_ALERT_2_C Short Inter X...Y Contact C124 .. C124 .. 3.16 Ang.
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: MSC/AFC7 Diffractometer Control Software (Molecular Structure Corporation, 1999); cell refinement: MSC/AFC7 Diffractometer Control Software; data reduction: TEXSAN for Windows (Molecular Structure Corporation, 1997–2001); program(s) used to solve structure: TEXSAN for Windows; program(s) used to refine structure: TEXSAN for Windows and SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: TEXSAN for Windows and PLATON (Spek, 1980–2001).

[1-(diphenylphosphino)-4-(diphenylphosphinoyl)butane-κP1]idodgold(I) monohydrate top
Crystal data top
[AuI(C28H28OP2)]·H2OF(000) = 3008
Mr = 784.33Dx = 1.845 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.7107 Å
Hall symbol: -C 2ycCell parameters from 25 reflections
a = 34.57 (2) Åθ = 12.6–14.3°
b = 14.686 (7) ŵ = 6.44 mm1
c = 11.740 (4) ÅT = 295 K
β = 108.67 (4)°Prism, colorless
V = 5647 (5) Å30.40 × 0.20 × 0.10 mm
Z = 8
Data collection top
Rigaku AFC-7R
diffractometer
3672 reflections with I > 2σ(I)
Radiation source: Rigaku rotating anodeRint = 0.023
Graphite monochromatorθmax = 25.0°, θmin = 2.5°
ω scansh = 1841
Absorption correction: ψ scan
(North et al., 1968)
k = 177
Tmin = 0.170, Tmax = 0.525l = 1313
5863 measured reflections3 standard reflections every 150 reflections
4984 independent reflections intensity decay: 0.5%
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)] = 0.033H-atom parameters constrained
wR(F2) = 0.090 w = 1/[Σ2(Fo2) + (0.0368P)2 + 13.2508P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.001
4984 reflectionsΔρmax = 1.06 e Å3
308 parametersΔρmin = 0.86 e Å3
0 restraintsExtinction correction: shelxl97, FC*=KFC[1+0.001XFC2Λ3/SIN(2Θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00008 (2)
Special details top

Experimental. The scan width was (0.95 + 0.30tanθ)° with an ω scan speed of 16° per minute (up to 4 scans to achieve I/σ(I) > 10). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1.

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

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 > 2σ(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
Au10.03730 (1)0.71419 (2)0.38085 (2)0.0573 (1)
I10.01595 (2)0.81537 (4)0.43075 (4)0.0685 (2)
P10.08742 (6)0.62119 (12)0.36391 (15)0.0538 (6)
P20.17936 (6)0.91522 (12)0.07247 (17)0.0584 (6)
O20.20721 (16)0.8474 (3)0.0430 (5)0.082 (2)
C110.1116 (2)0.6590 (5)0.2562 (6)0.065 (3)
C120.1312 (2)0.7529 (5)0.2815 (6)0.062 (3)
C210.1632 (2)0.8801 (5)0.1966 (7)0.067 (3)
C220.1446 (2)0.7863 (5)0.1789 (7)0.068 (3)
C1110.12841 (19)0.6046 (4)0.5036 (5)0.051 (2)
C1120.1262 (2)0.6450 (5)0.6078 (6)0.060 (2)
C1130.1565 (3)0.6287 (6)0.7163 (7)0.074 (3)
C1140.1886 (2)0.5726 (6)0.7220 (7)0.072 (3)
C1150.1908 (2)0.5315 (6)0.6182 (7)0.074 (3)
C1160.1612 (2)0.5470 (5)0.5099 (6)0.069 (3)
C1210.0698 (2)0.5081 (5)0.3118 (5)0.053 (2)
C1220.0440 (2)0.4988 (5)0.1918 (6)0.065 (3)
C1230.0308 (2)0.4128 (6)0.1481 (7)0.075 (3)
C1240.0415 (3)0.3374 (6)0.2208 (8)0.077 (3)
C1250.0655 (3)0.3469 (5)0.3383 (7)0.074 (3)
C1260.0795 (2)0.4316 (5)0.3856 (6)0.068 (3)
C2110.1331 (2)0.9313 (4)0.0524 (6)0.057 (3)
C2120.1249 (3)0.8749 (5)0.1506 (7)0.073 (3)
C2130.0903 (4)0.8857 (6)0.2473 (8)0.094 (4)
C2140.0639 (3)0.9537 (7)0.2482 (9)0.098 (4)
C2150.0707 (3)1.0100 (7)0.1517 (9)0.105 (4)
C2160.1060 (3)1.0003 (6)0.0541 (7)0.086 (3)
C2210.2025 (2)1.0255 (5)0.1081 (6)0.059 (2)
C2220.2285 (2)1.0535 (5)0.0462 (7)0.072 (3)
C2230.2478 (3)1.1364 (6)0.0721 (9)0.091 (4)
C2240.2414 (3)1.1924 (6)0.1590 (10)0.095 (4)
C2250.2167 (3)1.1642 (6)0.2208 (9)0.093 (4)
C2260.1973 (3)1.0803 (6)0.1975 (8)0.081 (3)
O10.2854 (2)0.8383 (4)0.0047 (6)0.104 (3)
H11A0.132200.616300.256300.0790*
H11B0.091500.660400.179100.0790*
H12A0.112000.794800.294300.0750*
H12B0.154400.749900.352300.0750*
H21A0.164300.744700.168300.0810*
H21B0.121400.787100.108400.0810*
H22A0.186300.880100.267600.0810*
H22B0.143600.922300.205600.0810*
H1120.104000.684100.604500.0720*
H1130.154600.656400.787300.0890*
H1140.209200.561500.796600.0860*
H1150.213000.492300.621500.0880*
H1160.162900.518500.439100.0820*
H1220.035700.550700.141900.0770*
H1230.014100.405800.067000.0890*
H1240.032300.278600.189500.0910*
H1250.072600.294500.387900.0890*
H1260.095500.437600.467700.0810*
H2120.143500.827600.151400.0880*
H2130.084900.845300.313800.1130*
H2140.040500.962200.316600.1170*
H2150.051301.055400.151100.1260*
H2160.111501.041200.011900.1030*
H2220.232801.015500.014200.0860*
H2230.265801.155000.029400.1090*
H2240.254501.250000.174100.1140*
H2250.213001.201800.281500.1130*
H2260.180401.060700.242500.0970*
H1A0.261100.840900.016500.1210*
H1B0.288000.778700.010600.1210*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.0583 (2)0.0559 (2)0.0600 (2)0.0061 (1)0.0220 (1)0.0058 (1)
I10.0677 (3)0.0710 (3)0.0670 (3)0.0161 (2)0.0217 (2)0.0017 (2)
P10.0584 (11)0.0557 (10)0.0527 (9)0.0047 (8)0.0255 (8)0.0063 (8)
P20.0590 (11)0.0507 (10)0.0765 (12)0.0079 (8)0.0370 (10)0.0063 (9)
O20.071 (4)0.063 (3)0.129 (5)0.017 (3)0.054 (3)0.007 (3)
C110.072 (5)0.067 (5)0.070 (4)0.000 (4)0.041 (4)0.011 (4)
C120.064 (5)0.067 (4)0.059 (4)0.002 (4)0.025 (3)0.013 (4)
C210.062 (5)0.073 (5)0.075 (5)0.003 (4)0.033 (4)0.012 (4)
C220.070 (5)0.068 (5)0.074 (5)0.007 (4)0.036 (4)0.015 (4)
C1110.047 (4)0.058 (4)0.054 (4)0.001 (3)0.024 (3)0.001 (3)
C1120.048 (4)0.063 (4)0.068 (4)0.002 (3)0.018 (3)0.007 (3)
C1130.075 (6)0.083 (6)0.062 (4)0.004 (5)0.019 (4)0.002 (4)
C1140.061 (5)0.080 (5)0.066 (5)0.004 (4)0.007 (4)0.007 (4)
C1150.058 (5)0.083 (6)0.082 (5)0.019 (4)0.025 (4)0.007 (4)
C1160.063 (5)0.084 (5)0.064 (4)0.009 (4)0.027 (4)0.005 (4)
C1210.050 (4)0.059 (4)0.053 (4)0.005 (3)0.022 (3)0.000 (3)
C1220.066 (5)0.076 (5)0.051 (4)0.011 (4)0.018 (3)0.005 (3)
C1230.064 (5)0.093 (6)0.068 (5)0.002 (4)0.023 (4)0.014 (4)
C1240.071 (5)0.070 (5)0.098 (6)0.003 (4)0.040 (5)0.017 (5)
C1250.077 (6)0.064 (5)0.086 (5)0.006 (4)0.032 (5)0.009 (4)
C1260.075 (5)0.070 (5)0.059 (4)0.003 (4)0.023 (4)0.002 (4)
C2110.067 (5)0.049 (4)0.065 (4)0.006 (3)0.037 (4)0.007 (3)
C2120.090 (6)0.061 (5)0.077 (5)0.010 (4)0.039 (5)0.005 (4)
C2130.134 (9)0.066 (6)0.086 (6)0.029 (6)0.042 (6)0.015 (5)
C2140.104 (8)0.085 (7)0.094 (7)0.007 (6)0.017 (6)0.007 (6)
C2150.116 (8)0.087 (7)0.108 (7)0.044 (6)0.031 (7)0.006 (6)
C2160.099 (7)0.080 (6)0.070 (5)0.029 (5)0.016 (5)0.007 (4)
C2210.047 (4)0.058 (4)0.074 (4)0.001 (3)0.022 (3)0.008 (3)
C2220.073 (5)0.067 (5)0.081 (5)0.006 (4)0.033 (4)0.014 (4)
C2230.089 (7)0.073 (6)0.124 (7)0.011 (5)0.052 (6)0.016 (5)
C2240.084 (7)0.064 (5)0.123 (8)0.019 (5)0.013 (6)0.005 (5)
C2250.096 (7)0.070 (6)0.112 (7)0.014 (5)0.030 (6)0.013 (5)
C2260.087 (6)0.078 (5)0.090 (6)0.001 (5)0.046 (5)0.004 (5)
O10.104 (5)0.095 (4)0.119 (5)0.012 (4)0.046 (4)0.020 (4)
Geometric parameters (Å, º) top
Au1—I12.5750 (16)C125—C1261.385 (11)
Au1—P12.264 (2)C211—C2121.373 (10)
P1—C111.812 (7)C211—C2161.376 (12)
P1—C1111.808 (6)C212—C2131.369 (14)
P1—C1211.807 (7)C112—H1120.9493
P2—O21.501 (6)C213—C2141.351 (16)
P2—C211.795 (8)C113—H1130.9485
P2—C2111.806 (7)C114—H1140.9494
P2—C2211.795 (8)C214—C2151.361 (14)
O1—H1B0.9038C115—H1150.9502
O1—H1A0.8949C215—C2161.388 (14)
C11—C121.523 (10)C116—H1160.9491
C12—C221.504 (10)C221—C2221.387 (10)
C21—C221.506 (10)C221—C2261.379 (12)
C111—C1161.397 (10)C222—C2231.375 (12)
C11—H11A0.9486C122—H1220.9481
C111—C1121.384 (9)C123—H1230.9479
C11—H11B0.9486C223—C2241.382 (14)
C12—H12B0.9536C124—H1240.9524
C12—H12A0.9517C224—C2251.350 (15)
C112—C1131.387 (11)C125—H1250.9487
C113—C1141.366 (13)C225—C2261.388 (13)
C114—C1151.384 (11)C126—H1260.9494
C115—C1161.372 (10)C212—H2120.9487
C121—C1261.393 (10)C213—H2130.9503
C21—H22A0.9520C214—H2140.9481
C21—H22B0.9488C215—H2150.9473
C121—C1221.412 (9)C216—H2160.9503
C22—H21B0.9505C222—H2220.9507
C122—C1231.384 (11)C223—H2230.9554
C22—H21A0.9523C224—H2240.9490
C123—C1241.375 (12)C225—H2250.9421
C124—C1251.370 (12)C226—H2260.9492
Au1···C123i3.718 (8)C211···H21B2.9497
Au1···C124i4.019 (9)C212···H226iv2.7735
Au1···C122ii4.135 (8)C213···H124ix3.0725
Au1···Au1ii3.319 (2)C221···H2162.9917
Au1···I1ii3.796 (2)C222···H114vi2.8900
Au1···H1223.6794C226···H22B2.9921
Au1···H122ii3.4312H1A···H114vi2.5458
Au1···H12A3.2837H1A···O21.9869
Au1···H1122.9206H1A···H1Bvii2.4281
Au1···H123i3.1059H1B···H1Avii2.4281
Au1···H124i3.6840H1B···O2vii1.9084
Au1···H215iii3.4557H11A···C1162.9990
I1···Au1ii3.796 (2)H11A···H1162.5173
I1···H124i3.2666H11A···H21A2.5668
I1···H215iii3.3706H11B···H21B2.4019
O1···O22.882 (9)H11B···C1222.9168
O1···C225iv3.418 (12)H11B···H1222.4429
O1···C115v3.401 (11)H12A···H22B2.5519
O1···C114vi3.312 (10)H12A···Au13.2837
O1···O2vii2.812 (8)H12B···C1113.0883
O1···C113vi3.284 (11)H12B···H22A2.5619
O2···O1vii2.812 (8)H21A···O22.8348
O2···O12.882 (9)H21A···H11A2.5668
O1···H114vi2.7135H21B···H11B2.4019
O1···H115v2.7140H21B···C2112.9497
O1···H113vi2.6511H22A···H12B2.5619
O2···H2122.6317H22B···H2262.3632
O2···H21A2.8348H22B···C2262.9921
O2···H1Bvii1.9084H22B···H12A2.5519
O2···H2222.7764H112···C124i2.9191
O2···H1A1.9869H112···Au12.9206
C11···H1163.0944H112···C123i3.0854
C11···H1222.9935H113···O1vi2.6511
C112···C123i3.581 (11)H114···O1vi2.7135
C112···C124i3.590 (13)H114···H1Avi2.5458
C113···O1vi3.284 (11)H114···C222vi2.8900
C114···O1vi3.312 (10)H115···O1viii2.7140
C115···O1viii3.401 (11)H115···H222viii2.5932
C116···C1263.216 (10)H116···C1213.0880
C21···H2262.7338H116···C1263.0292
C122···Au1ii4.135 (8)H116···C113.0944
C123···C112ix3.581 (11)H116···H11A2.5173
C123···Au1ix3.718 (8)H122···H123x2.5852
C123···C125ii3.519 (13)H122···C112.9935
C123···C124ii3.508 (13)H122···Au13.6794
C124···C123ii3.508 (13)H122···H11B2.4429
C124···C124ii3.156 (15)H122···Au1ii3.4312
C124···C112ix3.590 (13)H123···H122x2.5852
C124···Au1ix4.019 (9)H123···Au1ix3.1059
C124···C125ii3.541 (15)H124···Au1ix3.6840
C125···C124ii3.541 (15)H124···H213i2.5815
C125···C123ii3.519 (13)H124···I1ix3.2666
C126···C1163.216 (10)H124···C213i3.0725
C111···H12B3.0883H126···C1112.6796
C111···H1262.6796H126···C1162.6954
C212···C226iv3.569 (15)H212···O22.6317
C116···H11A2.9990H213···H124ix2.5815
C116···H1262.6954H215···Au1iv3.4556
C121···H1163.0880H215···I1iv3.3705
C122···H11B2.9168H216···C2212.9917
C123···H112ix3.0854H222···O22.7764
C124···H112ix2.9191H222···H115v2.5932
C225···O1iii3.418 (12)H226···C212iii2.7735
C126···H1163.0292H226···C212.7338
C226···C212iii3.569 (15)H226···H22B2.3632
I1—Au1—P1172.26 (6)P2—C211—C216122.0 (5)
Au1—P1—C11114.4 (2)P2—C211—C212119.6 (6)
Au1—P1—C111113.7 (2)C111—C112—H112119.74
Au1—P1—C121113.6 (3)C113—C112—H112120.33
C11—P1—C111105.8 (3)C211—C212—C213121.1 (8)
C11—P1—C121103.1 (3)C114—C113—H113119.95
C111—P1—C121105.3 (3)C112—C113—H113119.26
O2—P2—C21112.7 (3)C212—C213—C214120.1 (9)
O2—P2—C211111.5 (3)C113—C114—H114120.42
O2—P2—C221112.4 (3)C213—C214—C215120.4 (10)
C21—P2—C211105.8 (3)C115—C114—H114120.07
C21—P2—C221107.5 (3)C214—C215—C216119.8 (10)
C211—P2—C221106.5 (3)C114—C115—H115119.99
H1A—O1—H1B103.30C116—C115—H115119.43
P1—C11—C12114.7 (5)C115—C116—H116120.10
C11—C12—C22111.8 (6)C111—C116—H116119.82
P2—C21—C22112.4 (5)C211—C216—C215120.1 (8)
C12—C22—C21114.5 (6)P2—C221—C222117.4 (5)
P1—C111—C116121.1 (5)P2—C221—C226123.1 (6)
C112—C111—C116119.1 (6)C222—C221—C226119.3 (7)
C12—C11—H11A108.14C221—C222—C223119.8 (8)
C12—C11—H11B108.10C121—C122—H122120.55
H11A—C11—H11B109.62C123—C122—H122120.38
P1—C111—C112119.7 (5)C222—C223—C224120.6 (9)
P1—C11—H11B108.17C122—C123—H123119.58
P1—C11—H11A108.08C124—C123—H123119.52
C11—C12—H12A109.09C223—C224—C225119.5 (9)
C22—C12—H12B108.93C123—C124—H124120.04
C22—C12—H12A108.95C125—C124—H124120.03
C111—C112—C113119.9 (7)C224—C225—C226121.0 (9)
C11—C12—H12B109.01C124—C125—H125119.31
H12A—C12—H12B109.07C126—C125—H125119.60
C112—C113—C114120.8 (7)C121—C126—H126120.18
C113—C114—C115119.5 (7)C125—C126—H126120.38
C114—C115—C116120.6 (7)C221—C226—C225119.7 (9)
C111—C116—C115120.1 (6)C211—C212—H212119.44
P2—C21—H22B108.76C213—C212—H212119.44
C22—C21—H22A108.79C214—C213—H213120.04
P2—C21—H22A108.60C212—C213—H213119.90
H22A—C21—H22B109.35C213—C214—H214119.68
C122—C121—C126119.5 (7)C215—C214—H214119.89
P1—C121—C122117.6 (5)C216—C215—H215120.23
P1—C121—C126122.9 (5)C214—C215—H215119.99
C22—C21—H22B108.92C211—C216—H216119.75
C121—C122—C123119.1 (7)C215—C216—H216120.11
H21A—C22—H21B109.48C223—C222—H222120.27
C12—C22—H21A108.17C221—C222—H222119.94
C21—C22—H21A108.25C222—C223—H223119.25
C21—C22—H21B108.23C224—C223—H223120.14
C12—C22—H21B108.12C225—C224—H224121.26
C122—C123—C124120.9 (7)C223—C224—H224119.25
C123—C124—C125119.9 (8)C224—C225—H225119.27
C124—C125—C126121.1 (7)C226—C225—H225119.71
C121—C126—C125119.4 (6)C221—C226—H226120.00
C212—C211—C216118.4 (7)C225—C226—H226120.29
Au1—P1—C11—C1258.7 (6)H112—C112—C113—H1130.84
C111—P1—C11—C1267.2 (6)C111—C112—C113—H113179.57
C121—P1—C11—C12177.6 (5)H112—C112—C113—C114179.94
Au1—P1—C111—C1122.1 (6)C211—C212—C213—C2141.2 (16)
Au1—P1—C111—C116178.1 (5)H113—C113—C114—C115179.10
C11—P1—C111—C112128.4 (6)H113—C113—C114—H1140.53
C11—P1—C111—C11655.6 (6)C112—C113—C114—H114179.75
C121—P1—C111—C112122.8 (6)C212—C213—C214—C2152.2 (17)
C121—P1—C111—C11653.1 (6)C213—C214—C215—C2163.1 (16)
Au1—P1—C121—C12268.6 (6)H114—C114—C115—C116179.98
Au1—P1—C121—C126109.2 (6)H114—C114—C115—H1150.23
C11—P1—C121—C12255.7 (6)C113—C114—C115—H115179.86
C11—P1—C121—C126126.4 (6)C214—C215—C216—C2113.1 (15)
C111—P1—C121—C122166.4 (6)H115—C115—C116—H1160.28
C111—P1—C121—C12615.8 (7)C114—C115—C116—H116179.92
O2—P2—C21—C2253.4 (6)H115—C115—C116—C111179.89
C211—P2—C21—C2268.7 (6)P2—C221—C222—C223178.4 (7)
C221—P2—C21—C22177.9 (5)P1—C121—C122—H1221.96
O2—P2—C211—C2128.9 (7)C226—C221—C222—C2231.9 (12)
O2—P2—C211—C216169.4 (6)P2—C221—C226—C225179.1 (7)
C21—P2—C211—C212113.9 (7)C222—C221—C226—C2252.7 (13)
C21—P2—C211—C21667.8 (7)C122—C121—C126—H126176.31
C221—P2—C211—C212131.8 (6)C126—C121—C122—H122175.99
C221—P2—C211—C21646.4 (7)P1—C121—C126—H1261.53
O2—P2—C221—C22235.1 (7)C221—C222—C223—C2240.3 (14)
O2—P2—C221—C226141.3 (7)H122—C122—C123—H1232.07
C21—P2—C221—C222159.8 (6)H122—C122—C123—C124177.77
C21—P2—C221—C22616.6 (8)C121—C122—C123—H123178.25
C211—P2—C221—C22287.3 (6)H123—C123—C124—C125179.74
C211—P2—C221—C22696.4 (7)H123—C123—C124—H1240.41
P1—C11—C12—C22170.8 (5)C222—C223—C224—C2251.6 (15)
C11—C12—C22—C21178.4 (6)C122—C123—C124—H124179.75
P2—C21—C22—C12179.0 (5)C123—C124—C125—H125179.65
P2—C211—C212—C213179.4 (8)C223—C224—C225—C2260.7 (16)
P1—C111—C112—H1123.75H124—C124—C125—C126179.51
C116—C111—C112—H112179.81H124—C124—C125—H1250.50
P1—C111—C116—H1163.45C224—C225—C226—C2211.5 (15)
C112—C111—C116—H116179.45C124—C125—C126—H126178.30
P2—C211—C216—C215179.7 (7)H125—C125—C126—C121178.53
C212—C211—C216—C2152.0 (13)H125—C125—C126—H1261.69
C216—C211—C212—C2131.1 (13)
Symmetry codes: (i) x, y+1, z+1/2; (ii) x, y, z+1/2; (iii) x, y+2, z+1/2; (iv) x, y+2, z1/2; (v) x+1/2, y+1/2, z+1/2; (vi) x+1/2, y+3/2, z+1; (vii) x+1/2, y+3/2, z; (viii) x+1/2, y1/2, z+1/2; (ix) x, y+1, z1/2; (x) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1A···O20.891.992.882 (9)180
O1—H1B···O2vii0.901.912.812 (8)179
Symmetry code: (vii) x+1/2, y+3/2, z.
 

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