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In the title compound, Li+·C48H40BP4-·C4H10O, the Li+ cation is coordinated by two P atoms, two aromatic C atoms and the ether O atom.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806051130/hb2216sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806051130/hb2216Isup2.hkl
Contains datablock I

CCDC reference: 633860

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.038
  • wR factor = 0.097
  • Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.14 Ratio
Author Response: C2 belongs to a diethyl ether molecule which might be slightly disordered. However, a model without disorder was chosen for refinement, since it gave a better result.

Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.16 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C2
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O1
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.66 From the CIF: _reflns_number_total 8770 Count of symmetry unique reflns 5463 Completeness (_total/calc) 160.53% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3307 Fraction of Friedel pairs measured 0.605 Are heavy atom types Z>Si present yes
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97.

Lithium tetrakis(diphenylphosphino)borate diethyl ether solvate top
Crystal data top
Li+·C48H40BP4·C4H10OF(000) = 876
Mr = 832.55Dx = 1.233 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 22354 reflections
a = 11.7386 (7) Åθ = 3.1–27.3°
b = 13.2135 (11) ŵ = 0.21 mm1
c = 14.4602 (9) ÅT = 173 K
β = 91.216 (5)°Block, yellow
V = 2242.4 (3) Å30.50 × 0.49 × 0.47 mm
Z = 2
Data collection top
Stoe IPDS-II two-circle
diffractometer
8770 independent reflections
Radiation source: fine-focus sealed tube8251 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
ω scansθmax = 27.7°, θmin = 3.1°
Absorption correction: multi-scan
(MULABS; Spek, 2003; Blessing, 1995)
h = 1415
Tmin = 0.904, Tmax = 0.909k = 1715
16919 measured reflectionsl = 1818
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.038 w = 1/[σ2(Fo2) + (0.0682P)2 + 0.0442P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.097(Δ/σ)max = 0.001
S = 1.05Δρmax = 0.28 e Å3
8770 reflectionsΔρmin = 0.23 e Å3
533 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
1 restraintExtinction coefficient: 0.0061 (12)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), 3383 Friedel pairs
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.04 (5)
Special details top

Experimental. The NMR spectra were recorded on a Bruker AV 400 spectrometer. NMR measurement was performed in undeuterated diethyl ether solution. Approximately 0.1 ml of C6D6 was added to the sample to provide a lock signal. The 11B NMR spectrum was referenced against external BF3.OEt2. Abbreviations: qi = quintet. 11B{1H} NMR (Et2O, 128.38 MHz): δ = -13.3 (qi, 1JPB = 22.5 Hz) p.p.m..

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
B10.71798 (18)0.40289 (17)0.75468 (13)0.0180 (4)
P10.67919 (5)0.26593 (4)0.70151 (3)0.01957 (11)
P20.81746 (4)0.40271 (4)0.86984 (3)0.02002 (11)
P30.59887 (5)0.51452 (4)0.75322 (3)0.02022 (11)
P40.82487 (5)0.48489 (4)0.67279 (3)0.02072 (11)
C110.79815 (19)0.17820 (15)0.72808 (14)0.0227 (4)
C120.8405 (2)0.15454 (17)0.81677 (14)0.0282 (5)
H120.80190.17870.86950.034*
C130.9382 (2)0.09619 (19)0.82852 (17)0.0371 (5)
H130.96570.08090.88920.045*
C140.9961 (2)0.0599 (2)0.7524 (2)0.0399 (6)
H141.06410.02180.76110.048*
C150.9545 (2)0.07954 (18)0.66447 (18)0.0349 (5)
H150.99280.05380.61230.042*
C160.8557 (2)0.13733 (17)0.65232 (15)0.0278 (4)
H160.82680.14940.59150.033*
C210.55944 (19)0.20858 (15)0.76311 (13)0.0208 (4)
C220.45621 (19)0.26258 (18)0.76551 (13)0.0255 (4)
H220.45220.32820.73890.031*
C230.3598 (2)0.22203 (19)0.80602 (15)0.0300 (5)
H230.29240.26150.80960.036*
C240.3617 (2)0.12410 (18)0.84130 (15)0.0302 (5)
H240.29570.09580.86810.036*
C250.4617 (2)0.06859 (18)0.83665 (15)0.0317 (5)
H250.46360.00120.85940.038*
C260.5596 (2)0.11023 (17)0.79905 (15)0.0275 (4)
H260.62750.07120.79780.033*
C310.85221 (18)0.53581 (16)0.90069 (13)0.0227 (4)
C320.7774 (2)0.60524 (17)0.94080 (14)0.0273 (4)
H320.69990.58700.94870.033*
C330.8154 (3)0.70120 (19)0.96934 (16)0.0370 (6)
H330.76370.74730.99640.044*
C340.9282 (3)0.7290 (2)0.95826 (18)0.0441 (7)
H340.95410.79350.97870.053*
C351.0031 (2)0.6622 (2)0.91719 (18)0.0412 (6)
H351.08010.68140.90820.049*
C360.9650 (2)0.5667 (2)0.88919 (16)0.0320 (5)
H361.01710.52150.86150.038*
C410.74612 (19)0.36203 (15)0.97580 (13)0.0223 (4)
C420.6545 (2)0.29499 (18)0.97678 (15)0.0328 (5)
H420.61720.27710.92020.039*
C430.6166 (3)0.2535 (2)1.06010 (17)0.0414 (6)
H430.55410.20781.05950.050*
C440.6701 (3)0.27912 (19)1.14292 (15)0.0398 (6)
H440.64480.25091.19930.048*
C450.7604 (2)0.3459 (2)1.14311 (14)0.0345 (5)
H450.79650.36431.20010.041*
C460.7993 (2)0.38676 (17)1.06081 (13)0.0271 (4)
H460.86230.43181.06220.033*
C510.47021 (18)0.49705 (16)0.82368 (13)0.0238 (4)
C520.3609 (2)0.50769 (19)0.78484 (15)0.0301 (5)
H520.35260.52160.72060.036*
C530.2638 (2)0.4984 (2)0.83790 (17)0.0374 (6)
H530.19050.50600.80960.045*
C540.2734 (2)0.4783 (2)0.93123 (17)0.0401 (6)
H540.20730.47120.96750.048*
C550.3803 (2)0.4686 (2)0.97106 (16)0.0389 (6)
H550.38750.45491.03540.047*
C560.4787 (2)0.4785 (2)0.91863 (15)0.0318 (5)
H560.55170.47260.94790.038*
C610.53104 (18)0.52610 (17)0.63757 (13)0.0240 (4)
C620.4934 (2)0.62226 (19)0.60950 (16)0.0336 (5)
H620.50530.67830.64980.040*
C630.4393 (2)0.6377 (2)0.52449 (18)0.0393 (6)
H630.41410.70340.50700.047*
C640.4223 (2)0.5564 (2)0.46525 (16)0.0371 (6)
H640.38580.56640.40670.045*
C650.4583 (2)0.4607 (2)0.49133 (15)0.0320 (5)
H650.44670.40520.45040.038*
C660.51149 (19)0.44515 (18)0.57698 (14)0.0261 (4)
H660.53480.37890.59450.031*
C710.78031 (18)0.47701 (17)0.55017 (13)0.0234 (4)
C720.7439 (2)0.56466 (19)0.50429 (15)0.0289 (5)
H720.74270.62730.53640.035*
C730.7092 (2)0.5606 (2)0.41138 (16)0.0377 (6)
H730.68430.62040.38070.045*
C740.7108 (2)0.4707 (2)0.36440 (15)0.0416 (6)
H740.68630.46840.30140.050*
C750.7483 (2)0.3823 (2)0.40842 (15)0.0383 (6)
H750.74970.32010.37550.046*
C760.7837 (2)0.38614 (18)0.50083 (14)0.0289 (5)
H760.81040.32640.53070.035*
C810.97120 (19)0.43626 (18)0.66047 (13)0.0251 (4)
C821.0130 (2)0.34390 (18)0.69276 (15)0.0290 (5)
H820.96670.30180.72960.035*
C831.1233 (2)0.3131 (2)0.67090 (18)0.0375 (5)
H831.15020.24900.69170.045*
C841.1935 (2)0.3739 (2)0.61991 (19)0.0433 (7)
H841.26790.35180.60520.052*
C851.1547 (2)0.4677 (3)0.59023 (19)0.0465 (7)
H851.20330.51080.55630.056*
C861.0450 (2)0.4989 (2)0.60991 (16)0.0374 (6)
H861.01910.56320.58910.045*
Li10.7702 (4)0.6387 (3)0.7664 (3)0.0349 (9)
C10.6386 (4)0.8379 (3)0.7698 (3)0.0702 (11)
H1A0.59660.90170.77490.105*
H1B0.64260.80470.83040.105*
H1C0.59930.79350.72520.105*
C20.7531 (4)0.8584 (3)0.7388 (5)0.107 (2)
H2A0.74880.89380.67850.129*
H2B0.79240.90350.78380.129*
O10.81664 (18)0.76846 (15)0.72935 (14)0.0453 (4)
C30.9336 (3)0.7801 (3)0.6986 (2)0.0594 (8)
H3A0.96980.83760.73180.071*
H3B0.97740.71820.71410.071*
C40.9376 (4)0.7981 (4)0.5995 (3)0.0820 (13)
H4A1.01710.80520.58120.123*
H4B0.89590.86030.58420.123*
H4C0.90260.74090.56640.123*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
B10.0182 (10)0.0175 (9)0.0185 (8)0.0003 (9)0.0011 (7)0.0001 (7)
P10.0224 (3)0.0169 (2)0.0194 (2)0.0001 (2)0.00025 (17)0.00132 (17)
P20.0221 (3)0.0203 (2)0.0176 (2)0.0008 (2)0.00002 (17)0.00128 (17)
P30.0201 (3)0.0181 (2)0.0224 (2)0.00179 (19)0.00086 (17)0.00032 (17)
P40.0214 (3)0.0206 (2)0.0203 (2)0.0008 (2)0.00266 (17)0.00129 (17)
C110.0238 (11)0.0164 (9)0.0278 (9)0.0009 (8)0.0006 (8)0.0021 (7)
C120.0357 (13)0.0211 (10)0.0278 (10)0.0018 (9)0.0029 (8)0.0031 (8)
C130.0405 (15)0.0291 (12)0.0412 (12)0.0075 (11)0.0119 (10)0.0002 (9)
C140.0289 (13)0.0274 (12)0.0633 (16)0.0069 (10)0.0038 (11)0.0035 (11)
C150.0325 (13)0.0277 (12)0.0447 (13)0.0025 (10)0.0081 (10)0.0074 (9)
C160.0280 (12)0.0244 (10)0.0309 (10)0.0002 (9)0.0024 (8)0.0042 (8)
C210.0257 (11)0.0190 (9)0.0176 (8)0.0014 (8)0.0034 (7)0.0035 (6)
C220.0260 (11)0.0213 (9)0.0290 (9)0.0014 (9)0.0012 (7)0.0000 (8)
C230.0268 (12)0.0305 (11)0.0326 (11)0.0008 (9)0.0009 (8)0.0037 (8)
C240.0310 (12)0.0322 (12)0.0275 (10)0.0080 (10)0.0040 (8)0.0015 (8)
C250.0382 (14)0.0252 (11)0.0317 (11)0.0038 (10)0.0008 (9)0.0051 (8)
C260.0298 (12)0.0206 (10)0.0322 (10)0.0002 (9)0.0001 (8)0.0015 (8)
C310.0248 (11)0.0242 (10)0.0190 (8)0.0010 (8)0.0006 (7)0.0007 (7)
C320.0294 (12)0.0250 (10)0.0278 (10)0.0026 (9)0.0051 (8)0.0028 (8)
C330.0504 (16)0.0271 (12)0.0338 (12)0.0049 (11)0.0078 (10)0.0069 (9)
C340.0598 (19)0.0322 (13)0.0404 (13)0.0191 (13)0.0011 (12)0.0045 (10)
C350.0356 (14)0.0427 (15)0.0455 (13)0.0194 (12)0.0026 (10)0.0023 (11)
C360.0242 (12)0.0376 (13)0.0341 (11)0.0065 (10)0.0004 (8)0.0016 (9)
C410.0295 (11)0.0181 (9)0.0193 (8)0.0038 (8)0.0021 (7)0.0004 (7)
C420.0440 (14)0.0306 (12)0.0239 (10)0.0101 (10)0.0024 (9)0.0046 (8)
C430.0597 (18)0.0293 (13)0.0358 (12)0.0134 (12)0.0129 (11)0.0006 (9)
C440.0632 (18)0.0309 (13)0.0259 (10)0.0045 (12)0.0142 (10)0.0060 (9)
C450.0484 (15)0.0355 (13)0.0195 (9)0.0089 (11)0.0004 (9)0.0005 (8)
C460.0327 (12)0.0272 (11)0.0214 (9)0.0049 (9)0.0020 (7)0.0011 (7)
C510.0239 (11)0.0215 (10)0.0261 (9)0.0012 (8)0.0022 (7)0.0040 (7)
C520.0242 (11)0.0374 (13)0.0287 (10)0.0063 (10)0.0014 (8)0.0001 (9)
C530.0220 (12)0.0501 (16)0.0402 (12)0.0067 (11)0.0040 (9)0.0030 (11)
C540.0308 (14)0.0525 (15)0.0375 (12)0.0035 (12)0.0132 (10)0.0033 (11)
C550.0352 (14)0.0541 (16)0.0275 (11)0.0068 (12)0.0051 (9)0.0007 (10)
C560.0274 (12)0.0395 (13)0.0285 (10)0.0032 (10)0.0000 (8)0.0018 (9)
C610.0206 (10)0.0286 (11)0.0230 (9)0.0030 (8)0.0020 (7)0.0054 (7)
C620.0373 (14)0.0295 (12)0.0340 (11)0.0086 (10)0.0001 (9)0.0065 (9)
C630.0368 (15)0.0400 (14)0.0411 (12)0.0116 (11)0.0020 (10)0.0171 (10)
C640.0290 (13)0.0549 (16)0.0274 (10)0.0070 (11)0.0006 (8)0.0138 (10)
C650.0289 (12)0.0432 (14)0.0237 (10)0.0026 (10)0.0010 (8)0.0020 (8)
C660.0255 (12)0.0285 (11)0.0243 (9)0.0020 (9)0.0010 (8)0.0041 (8)
C710.0203 (10)0.0301 (11)0.0199 (8)0.0005 (8)0.0035 (7)0.0051 (7)
C720.0264 (12)0.0317 (11)0.0287 (10)0.0000 (9)0.0039 (8)0.0094 (8)
C730.0331 (13)0.0521 (15)0.0280 (11)0.0065 (12)0.0023 (9)0.0179 (10)
C740.0397 (15)0.0652 (18)0.0198 (10)0.0122 (13)0.0008 (9)0.0062 (10)
C750.0397 (14)0.0513 (16)0.0239 (10)0.0059 (12)0.0038 (9)0.0058 (9)
C760.0316 (12)0.0330 (12)0.0223 (9)0.0071 (10)0.0037 (8)0.0009 (8)
C810.0200 (11)0.0339 (11)0.0214 (9)0.0029 (9)0.0002 (7)0.0002 (8)
C820.0220 (11)0.0305 (12)0.0346 (10)0.0045 (9)0.0006 (8)0.0027 (8)
C830.0256 (13)0.0365 (13)0.0504 (14)0.0022 (10)0.0009 (10)0.0051 (11)
C840.0196 (12)0.065 (2)0.0454 (13)0.0048 (12)0.0032 (9)0.0070 (12)
C850.0257 (13)0.071 (2)0.0429 (13)0.0060 (13)0.0082 (10)0.0136 (13)
C860.0260 (12)0.0468 (15)0.0395 (11)0.0048 (11)0.0033 (9)0.0119 (10)
Li10.044 (3)0.0260 (19)0.0351 (19)0.0035 (18)0.0035 (16)0.0006 (15)
C10.066 (3)0.0347 (16)0.110 (3)0.0058 (16)0.008 (2)0.0179 (17)
C20.076 (3)0.0269 (17)0.219 (6)0.0063 (19)0.027 (4)0.020 (3)
O10.0521 (12)0.0258 (8)0.0583 (11)0.0060 (9)0.0055 (9)0.0027 (8)
C30.053 (2)0.053 (2)0.072 (2)0.0173 (16)0.0005 (15)0.0069 (15)
C40.084 (3)0.086 (3)0.076 (2)0.031 (3)0.008 (2)0.012 (2)
Geometric parameters (Å, º) top
B1—P22.013 (2)C46—H460.9500
B1—P12.015 (2)C51—C561.396 (3)
B1—P32.032 (2)C51—C521.397 (3)
B1—P42.053 (2)C52—C531.393 (3)
Li1—P32.599 (5)C52—H520.9500
Li1—P42.532 (4)C53—C541.378 (4)
Li1—C312.543 (5)C53—H530.9500
Li1—C322.560 (5)C54—C551.376 (4)
Li1—O11.881 (5)C54—H540.9500
P1—C211.843 (2)C55—C561.402 (3)
P1—C111.849 (2)C55—H550.9500
P2—C411.842 (2)C56—H560.9500
P2—C311.858 (2)C61—C661.399 (3)
P3—C611.843 (2)C61—C621.402 (3)
P3—C511.854 (2)C62—C631.387 (3)
P4—C711.841 (2)C62—H620.9500
P4—C811.846 (2)C63—C641.386 (4)
C11—C121.401 (3)C63—H630.9500
C11—C161.407 (3)C64—C651.383 (4)
C12—C131.390 (3)C64—H640.9500
C12—H120.9500C65—C661.390 (3)
C13—C141.391 (4)C65—H650.9500
C13—H130.9500C66—H660.9500
C14—C151.378 (4)C71—C721.397 (3)
C14—H140.9500C71—C761.398 (3)
C15—C161.396 (3)C72—C731.397 (3)
C15—H150.9500C72—H720.9500
C16—H160.9500C73—C741.369 (4)
C21—C261.400 (3)C73—H730.9500
C21—C221.407 (3)C74—C751.397 (4)
C22—C231.393 (3)C74—H740.9500
C22—H220.9500C75—C761.392 (3)
C23—C241.391 (3)C75—H750.9500
C23—H230.9500C76—H760.9500
C24—C251.388 (4)C81—C821.392 (3)
C24—H240.9500C81—C861.413 (3)
C25—C261.394 (3)C82—C831.400 (3)
C25—H250.9500C82—H820.9500
C26—H260.9500C83—C841.376 (4)
C31—C361.398 (3)C83—H830.9500
C31—C321.404 (3)C84—C851.386 (5)
C32—C331.403 (3)C84—H840.9500
C32—H320.9500C85—C861.387 (4)
C33—C341.386 (4)C85—H850.9500
C33—H330.9500C86—H860.9500
C34—C351.388 (4)C1—C21.451 (6)
C34—H340.9500C1—H1A0.9800
C35—C361.395 (4)C1—H1B0.9800
C35—H350.9500C1—H1C0.9800
C36—H360.9500C2—O11.411 (5)
C41—C421.393 (3)C2—H2A0.9900
C41—C461.405 (3)C2—H2B0.9900
C42—C431.405 (3)O1—C31.460 (4)
C42—H420.9500C3—C41.453 (5)
C43—C441.382 (4)C3—H3A0.9900
C43—H430.9500C3—H3B0.9900
C44—C451.380 (4)C4—H4A0.9800
C44—H440.9500C4—H4B0.9800
C45—C461.392 (3)C4—H4C0.9800
C45—H450.9500
P2—B1—P1115.91 (11)C53—C52—H52119.2
P2—B1—P3113.35 (10)C51—C52—H52119.2
P1—B1—P3119.88 (11)C54—C53—C52120.4 (2)
P2—B1—P497.29 (9)C54—C53—H53119.8
P1—B1—P4112.95 (9)C52—C53—H53119.8
P3—B1—P492.27 (9)C55—C54—C53118.9 (2)
C21—P1—C11102.84 (9)C55—C54—H54120.6
C21—P1—B1110.69 (8)C53—C54—H54120.6
C11—P1—B1108.68 (9)C54—C55—C56121.3 (2)
C41—P2—C31100.25 (9)C54—C55—H55119.3
C41—P2—B1114.98 (10)C56—C55—H55119.3
C31—P2—B1108.55 (9)C51—C56—C55120.4 (2)
C61—P3—C5199.65 (9)C51—C56—H56119.8
C61—P3—B1110.71 (9)C55—C56—H56119.8
C51—P3—B1118.17 (9)C66—C61—C62117.7 (2)
C61—P3—Li1109.43 (12)C66—C61—P3124.53 (17)
C51—P3—Li1132.56 (11)C62—C61—P3117.72 (18)
B1—P3—Li185.78 (12)C63—C62—C61121.7 (2)
C71—P4—C8197.66 (9)C63—C62—H62119.2
C71—P4—B1111.17 (9)C61—C62—H62119.2
C81—P4—B1116.96 (10)C64—C63—C62119.4 (2)
C71—P4—Li1119.35 (12)C64—C63—H63120.3
C81—P4—Li1125.31 (13)C62—C63—H63120.3
B1—P4—Li187.14 (11)C65—C64—C63120.0 (2)
C12—C11—C16117.4 (2)C65—C64—H64120.0
C12—C11—P1125.58 (16)C63—C64—H64120.0
C16—C11—P1116.87 (16)C64—C65—C66120.5 (2)
C13—C12—C11120.8 (2)C64—C65—H65119.8
C13—C12—H12119.6C66—C65—H65119.8
C11—C12—H12119.6C65—C66—C61120.6 (2)
C12—C13—C14120.7 (2)C65—C66—H66119.7
C12—C13—H13119.6C61—C66—H66119.7
C14—C13—H13119.6C72—C71—C76118.78 (19)
C15—C14—C13119.7 (2)C72—C71—P4119.23 (17)
C15—C14—H14120.1C76—C71—P4121.98 (16)
C13—C14—H14120.1C73—C72—C71120.3 (2)
C14—C15—C16119.8 (2)C73—C72—H72119.8
C14—C15—H15120.1C71—C72—H72119.8
C16—C15—H15120.1C74—C73—C72120.3 (2)
C15—C16—C11121.6 (2)C74—C73—H73119.9
C15—C16—H16119.2C72—C73—H73119.9
C11—C16—H16119.2C73—C74—C75120.5 (2)
C26—C21—C22117.1 (2)C73—C74—H74119.8
C26—C21—P1124.50 (17)C75—C74—H74119.8
C22—C21—P1118.00 (16)C76—C75—C74119.5 (2)
C23—C22—C21121.5 (2)C76—C75—H75120.3
C23—C22—H22119.2C74—C75—H75120.3
C21—C22—H22119.2C75—C76—C71120.7 (2)
C24—C23—C22120.4 (2)C75—C76—H76119.7
C24—C23—H23119.8C71—C76—H76119.7
C22—C23—H23119.8C82—C81—C86118.1 (2)
C25—C24—C23118.7 (2)C82—C81—P4126.51 (17)
C25—C24—H24120.6C86—C81—P4115.34 (18)
C23—C24—H24120.6C81—C82—C83120.0 (2)
C24—C25—C26121.0 (2)C81—C82—H82120.0
C24—C25—H25119.5C83—C82—H82120.0
C26—C25—H25119.5C84—C83—C82121.2 (3)
C25—C26—C21121.1 (2)C84—C83—H83119.4
C25—C26—H26119.4C82—C83—H83119.4
C21—C26—H26119.4C83—C84—C85119.5 (2)
C36—C31—C32117.4 (2)C83—C84—H84120.3
C36—C31—P2116.85 (17)C85—C84—H84120.3
C32—C31—P2125.57 (17)C84—C85—C86120.1 (3)
C36—C31—Li195.57 (17)C84—C85—H85119.9
C32—C31—Li174.70 (15)C86—C85—H85119.9
P2—C31—Li1104.18 (13)C85—C86—C81121.0 (3)
C33—C32—C31120.9 (2)C85—C86—H86119.5
C33—C32—Li197.90 (18)C81—C86—H86119.5
C31—C32—Li173.37 (15)O1—Li1—P4120.1 (2)
C33—C32—H32119.5O1—Li1—C31126.7 (2)
C31—C32—H32119.5P4—Li1—C3183.28 (14)
Li1—C32—H3298.7O1—Li1—C32115.7 (2)
C34—C33—C32120.3 (2)P4—Li1—C32112.62 (17)
C34—C33—H33119.9C31—Li1—C3231.94 (9)
C32—C33—H33119.9O1—Li1—P3141.6 (2)
C33—C34—C35119.8 (2)P4—Li1—P370.05 (11)
C33—C34—H34120.1C31—Li1—P389.91 (14)
C35—C34—H34120.1C32—Li1—P388.43 (14)
C34—C35—C36119.8 (2)C2—C1—H1A109.5
C34—C35—H35120.1C2—C1—H1B109.5
C36—C35—H35120.1H1A—C1—H1B109.5
C35—C36—C31121.9 (2)C2—C1—H1C109.5
C35—C36—H36119.1H1A—C1—H1C109.5
C31—C36—H36119.1H1B—C1—H1C109.5
C42—C41—C46117.86 (19)O1—C2—C1111.6 (3)
C42—C41—P2123.96 (15)O1—C2—H2A109.3
C46—C41—P2117.30 (17)C1—C2—H2A109.3
C41—C42—C43121.0 (2)O1—C2—H2B109.3
C41—C42—H42119.5C1—C2—H2B109.3
C43—C42—H42119.5H2A—C2—H2B108.0
C44—C43—C42120.1 (3)C2—O1—C3116.3 (3)
C44—C43—H43120.0C2—O1—Li1125.7 (3)
C42—C43—H43120.0C3—O1—Li1117.6 (2)
C45—C44—C43119.5 (2)C4—C3—O1111.6 (3)
C45—C44—H44120.2C4—C3—H3A109.3
C43—C44—H44120.2O1—C3—H3A109.3
C44—C45—C46120.8 (2)C4—C3—H3B109.3
C44—C45—H45119.6O1—C3—H3B109.3
C46—C45—H45119.6H3A—C3—H3B108.0
C45—C46—C41120.7 (2)C3—C4—H4A109.5
C45—C46—H46119.7C3—C4—H4B109.5
C41—C46—H46119.7H4A—C4—H4B109.5
C56—C51—C52117.33 (19)C3—C4—H4C109.5
C56—C51—P3121.34 (17)H4A—C4—H4C109.5
C52—C51—P3121.23 (15)H4B—C4—H4C109.5
C53—C52—C51121.7 (2)
P2—B1—P1—C2181.82 (13)C54—C55—C56—C511.0 (4)
P3—B1—P1—C2160.11 (13)C51—P3—C61—C6692.07 (19)
P4—B1—P1—C21167.15 (10)B1—P3—C61—C6633.1 (2)
P2—B1—P1—C1130.41 (13)Li1—P3—C61—C66126.0 (2)
P3—B1—P1—C11172.35 (10)C51—P3—C61—C6285.98 (19)
P4—B1—P1—C1180.62 (12)B1—P3—C61—C62148.84 (17)
P1—B1—P2—C4173.44 (13)Li1—P3—C61—C6256.0 (2)
P3—B1—P2—C4170.95 (13)C66—C61—C62—C630.4 (3)
P4—B1—P2—C41166.61 (8)P3—C61—C62—C63178.6 (2)
P1—B1—P2—C31175.25 (10)C61—C62—C63—C640.4 (4)
P3—B1—P2—C3140.37 (13)C62—C63—C64—C650.5 (4)
P4—B1—P2—C3155.30 (11)C63—C64—C65—C660.2 (4)
P2—B1—P3—C61168.68 (10)C64—C65—C66—C611.0 (4)
P1—B1—P3—C6148.48 (13)C62—C61—C66—C651.1 (3)
P4—B1—P3—C6169.74 (11)P3—C61—C66—C65179.17 (17)
P2—B1—P3—C5177.38 (13)C81—P4—C71—C72121.65 (18)
P1—B1—P3—C5165.46 (13)B1—P4—C71—C72115.49 (18)
P4—B1—P3—C51176.32 (8)Li1—P4—C71—C7216.5 (2)
P2—B1—P3—Li159.49 (13)C81—P4—C71—C7657.2 (2)
P1—B1—P3—Li1157.67 (13)B1—P4—C71—C7665.7 (2)
P4—B1—P3—Li139.45 (11)Li1—P4—C71—C76164.66 (19)
P2—B1—P4—C71166.29 (9)C76—C71—C72—C731.4 (3)
P1—B1—P4—C7144.11 (14)P4—C71—C72—C73179.73 (18)
P3—B1—P4—C7179.82 (10)C71—C72—C73—C740.1 (4)
P2—B1—P4—C8155.36 (12)C72—C73—C74—C750.7 (4)
P1—B1—P4—C8166.82 (13)C73—C74—C75—C760.3 (4)
P3—B1—P4—C81169.24 (8)C74—C75—C76—C711.0 (4)
P2—B1—P4—Li173.25 (13)C72—C71—C76—C751.8 (3)
P1—B1—P4—Li1164.57 (14)P4—C71—C76—C75179.33 (18)
P3—B1—P4—Li140.64 (12)C71—P4—C81—C82111.0 (2)
C21—P1—C11—C1259.3 (2)B1—P4—C81—C827.5 (2)
B1—P1—C11—C1258.0 (2)Li1—P4—C81—C82114.5 (2)
C21—P1—C11—C16125.26 (17)C71—P4—C81—C8666.46 (19)
B1—P1—C11—C16117.38 (17)B1—P4—C81—C86175.03 (16)
C16—C11—C12—C132.5 (3)Li1—P4—C81—C8668.1 (2)
P1—C11—C12—C13172.91 (19)C86—C81—C82—C833.2 (3)
C11—C12—C13—C140.0 (4)P4—C81—C82—C83174.15 (18)
C12—C13—C14—C151.9 (4)C81—C82—C83—C841.9 (4)
C13—C14—C15—C161.3 (4)C82—C83—C84—C850.5 (4)
C14—C15—C16—C111.2 (4)C83—C84—C85—C861.6 (4)
C12—C11—C16—C153.1 (3)C84—C85—C86—C810.2 (4)
P1—C11—C16—C15172.71 (18)C82—C81—C86—C852.2 (4)
C11—P1—C21—C2613.89 (19)P4—C81—C86—C85175.5 (2)
B1—P1—C21—C26129.82 (17)C71—P4—Li1—O158.9 (3)
C11—P1—C21—C22173.49 (15)C81—P4—Li1—O167.0 (3)
B1—P1—C21—C2257.56 (17)B1—P4—Li1—O1171.6 (3)
C26—C21—C22—C233.1 (3)C71—P4—Li1—C31172.33 (10)
P1—C21—C22—C23176.28 (16)C81—P4—Li1—C3161.82 (16)
C21—C22—C23—C243.3 (3)B1—P4—Li1—C3159.58 (12)
C22—C23—C24—C251.0 (3)C71—P4—Li1—C32159.44 (14)
C23—C24—C25—C261.2 (3)C81—P4—Li1—C3274.7 (2)
C24—C25—C26—C211.3 (3)B1—P4—Li1—C3246.69 (18)
C22—C21—C26—C250.8 (3)C71—P4—Li1—P379.98 (12)
P1—C21—C26—C25173.53 (17)C81—P4—Li1—P3154.17 (9)
C41—P2—C31—C36128.96 (17)B1—P4—Li1—P332.78 (9)
B1—P2—C31—C36110.15 (17)C36—C31—Li1—O136.8 (3)
C41—P2—C31—C3246.01 (19)C32—C31—Li1—O180.1 (3)
B1—P2—C31—C3274.88 (19)P2—C31—Li1—O1156.3 (2)
C41—P2—C31—Li1127.15 (14)C36—C31—Li1—P485.99 (16)
B1—P2—C31—Li16.26 (15)C32—C31—Li1—P4157.09 (17)
C36—C31—C32—C331.0 (3)P2—C31—Li1—P433.53 (14)
P2—C31—C32—C33173.98 (17)C36—C31—Li1—C32116.9 (2)
Li1—C31—C32—C3389.3 (2)P2—C31—Li1—C32123.56 (17)
C36—C31—C32—Li188.4 (2)C36—C31—Li1—P3155.91 (16)
P2—C31—C32—Li196.69 (18)C32—C31—Li1—P387.17 (16)
C31—C32—C33—C340.0 (4)P2—C31—Li1—P336.39 (14)
Li1—C32—C33—C3475.3 (3)C33—C32—Li1—O11.3 (3)
C32—C33—C34—C351.2 (4)C31—C32—Li1—O1118.7 (3)
C33—C34—C35—C361.4 (4)C33—C32—Li1—P4144.7 (2)
C34—C35—C36—C310.4 (4)C31—C32—Li1—P424.76 (19)
C32—C31—C36—C350.8 (3)C33—C32—Li1—C31120.0 (2)
P2—C31—C36—C35174.62 (19)C33—C32—Li1—P3147.66 (18)
Li1—C31—C36—C3576.4 (3)C31—C32—Li1—P392.35 (15)
C31—P2—C41—C42144.6 (2)C61—P3—Li1—O136.3 (4)
B1—P2—C41—C4228.5 (2)C51—P3—Li1—O188.1 (3)
C31—P2—C41—C4646.40 (18)B1—P3—Li1—O1146.8 (3)
B1—P2—C41—C46162.56 (16)C61—P3—Li1—P477.28 (11)
C46—C41—C42—C430.0 (4)C51—P3—Li1—P4158.30 (10)
P2—C41—C42—C43168.9 (2)B1—P3—Li1—P433.21 (8)
C41—C42—C43—C440.1 (4)C61—P3—Li1—C31160.16 (11)
C42—C43—C44—C450.3 (4)C51—P3—Li1—C3175.42 (18)
C43—C44—C45—C460.9 (4)B1—P3—Li1—C3149.67 (11)
C44—C45—C46—C411.0 (4)C61—P3—Li1—C32167.93 (11)
C42—C41—C46—C450.6 (3)C51—P3—Li1—C3243.5 (2)
P2—C41—C46—C45170.22 (18)B1—P3—Li1—C3281.58 (12)
C61—P3—C51—C56176.16 (19)C1—C2—O1—C3179.8 (4)
B1—P3—C51—C5656.3 (2)C1—C2—O1—Li17.7 (7)
Li1—P3—C51—C5655.9 (3)P4—Li1—O1—C2145.0 (4)
C61—P3—C51—C527.6 (2)C31—Li1—O1—C2109.8 (5)
B1—P3—C51—C52127.45 (19)C32—Li1—O1—C274.4 (5)
Li1—P3—C51—C52120.3 (2)P3—Li1—O1—C249.5 (5)
C56—C51—C52—C531.2 (4)P4—Li1—O1—C343.0 (3)
P3—C51—C52—C53177.6 (2)C31—Li1—O1—C362.3 (3)
C51—C52—C53—C540.0 (4)C32—Li1—O1—C397.6 (3)
C52—C53—C54—C550.7 (4)P3—Li1—O1—C3138.5 (3)
C53—C54—C55—C560.2 (5)C2—O1—C3—C477.8 (5)
C52—C51—C56—C551.7 (4)Li1—O1—C3—C4109.4 (4)
P3—C51—C56—C55178.1 (2)
 

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