Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806021945/lh2099sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806021945/lh2099Isup2.hkl |
CCDC reference: 613777
Data collection: COLLECT (Hooft, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Li2(C30H39N2P)(C4H10O)2] | F(000) = 1352 |
Mr = 620.72 | Dx = 1.086 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 12831 reflections |
a = 15.679 (3) Å | θ = 3.0–27.5° |
b = 15.381 (3) Å | µ = 0.11 mm−1 |
c = 16.734 (3) Å | T = 173 K |
β = 109.78 (3)° | Block, yellow |
V = 3797.7 (13) Å3 | 0.30 × 0.20 × 0.10 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 6675 independent reflections |
Radiation source: fine-focus sealed tube | 4532 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.045 |
φ and ω scans | θmax = 25.0°, θmin = 3.0° |
Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor 1997) | h = −18→18 |
Tmin = 0.969, Tmax = 0.990 | k = −18→18 |
12831 measured reflections | l = −19→19 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.050 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.123 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0453P)2 + 1.8002P] where P = (Fo2 + 2Fc2)/3 |
6675 reflections | (Δ/σ)max < 0.001 |
418 parameters | Δρmax = 0.45 e Å−3 |
0 restraints | Δρmin = −0.26 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
P1 | 0.03298 (4) | 0.80431 (4) | 0.22404 (4) | 0.02553 (15) | |
N1 | 0.01341 (11) | 0.82305 (11) | 0.31760 (11) | 0.0264 (4) | |
N2 | 0.14675 (11) | 0.79731 (11) | 0.27670 (11) | 0.0266 (4) | |
Li1 | 0.1015 (3) | 0.7215 (3) | 0.3573 (3) | 0.0402 (10) | |
Li2 | 0.1292 (3) | 0.8920 (3) | 0.3534 (3) | 0.0376 (9) | |
O1 | 0.14337 (13) | 0.62594 (12) | 0.43661 (12) | 0.0542 (5) | |
O2 | 0.18063 (10) | 0.99967 (10) | 0.40196 (10) | 0.0381 (4) | |
C1 | 0.00154 (14) | 0.68722 (14) | 0.20333 (13) | 0.0290 (5) | |
C2 | 0.05962 (17) | 0.62614 (15) | 0.18734 (17) | 0.0424 (6) | |
H2 | 0.1195 | 0.6431 | 0.1922 | 0.051* | |
C3 | 0.03185 (19) | 0.54082 (16) | 0.16433 (19) | 0.0532 (7) | |
H3 | 0.0725 | 0.5003 | 0.1537 | 0.064* | |
C4 | −0.05454 (19) | 0.51568 (17) | 0.15718 (18) | 0.0506 (7) | |
H4 | −0.0736 | 0.4575 | 0.1420 | 0.061* | |
C5 | −0.11351 (17) | 0.57495 (16) | 0.17199 (16) | 0.0437 (6) | |
H5 | −0.1733 | 0.5576 | 0.1669 | 0.052* | |
C6 | −0.08586 (15) | 0.65972 (15) | 0.19422 (14) | 0.0338 (5) | |
H6 | −0.1275 | 0.7000 | 0.2035 | 0.041* | |
C10 | −0.07580 (14) | 0.85140 (13) | 0.30858 (14) | 0.0277 (5) | |
C11 | −0.11298 (15) | 0.92948 (14) | 0.26572 (14) | 0.0303 (5) | |
C12 | −0.20357 (16) | 0.94950 (15) | 0.25223 (15) | 0.0377 (6) | |
H12 | −0.2288 | 1.0007 | 0.2216 | 0.045* | |
C13 | −0.25747 (16) | 0.89716 (16) | 0.28206 (16) | 0.0418 (6) | |
H13 | −0.3196 | 0.9108 | 0.2702 | 0.050* | |
C14 | −0.22017 (16) | 0.82485 (15) | 0.32925 (16) | 0.0392 (6) | |
H14 | −0.2563 | 0.7906 | 0.3527 | 0.047* | |
C15 | −0.13090 (15) | 0.80061 (14) | 0.34352 (14) | 0.0306 (5) | |
C16 | −0.05672 (16) | 0.99534 (14) | 0.23721 (15) | 0.0349 (5) | |
H16 | 0.0053 | 0.9701 | 0.2504 | 0.042* | |
C17 | −0.09373 (19) | 1.01290 (18) | 0.14158 (17) | 0.0507 (7) | |
H17A | −0.0967 | 0.9582 | 0.1107 | 0.076* | |
H17B | −0.0536 | 1.0537 | 0.1265 | 0.076* | |
H17C | −0.1546 | 1.0381 | 0.1263 | 0.076* | |
C18 | −0.04643 (19) | 1.08033 (16) | 0.28713 (19) | 0.0524 (7) | |
H18A | −0.1061 | 1.1071 | 0.2755 | 0.079* | |
H18B | −0.0071 | 1.1202 | 0.2698 | 0.079* | |
H18C | −0.0194 | 1.0682 | 0.3480 | 0.079* | |
C19 | −0.09255 (16) | 0.72198 (14) | 0.39858 (16) | 0.0372 (6) | |
H19 | −0.0395 | 0.7009 | 0.3837 | 0.045* | |
C20 | −0.1591 (2) | 0.64634 (16) | 0.3848 (2) | 0.0560 (8) | |
H20A | −0.1277 | 0.5956 | 0.4170 | 0.084* | |
H20B | −0.1831 | 0.6319 | 0.3243 | 0.084* | |
H20C | −0.2090 | 0.6630 | 0.4044 | 0.084* | |
C21 | −0.0573 (2) | 0.74822 (17) | 0.49238 (17) | 0.0531 (7) | |
H21A | −0.1083 | 0.7666 | 0.5098 | 0.080* | |
H21B | −0.0143 | 0.7964 | 0.5005 | 0.080* | |
H21C | −0.0269 | 0.6985 | 0.5269 | 0.080* | |
C22 | 0.22019 (14) | 0.79465 (13) | 0.24669 (14) | 0.0266 (5) | |
C23 | 0.21622 (14) | 0.80162 (13) | 0.16039 (14) | 0.0277 (5) | |
C24 | 0.29724 (15) | 0.80147 (14) | 0.14248 (15) | 0.0335 (5) | |
H24 | 0.2941 | 0.8078 | 0.0851 | 0.040* | |
C25 | 0.38088 (16) | 0.79259 (15) | 0.20379 (15) | 0.0385 (6) | |
H25 | 0.4344 | 0.7923 | 0.1893 | 0.046* | |
C26 | 0.38510 (15) | 0.78414 (15) | 0.28694 (15) | 0.0380 (6) | |
H26 | 0.4426 | 0.7773 | 0.3299 | 0.046* | |
C27 | 0.30780 (15) | 0.78525 (14) | 0.31010 (14) | 0.0317 (5) | |
C28 | 0.12850 (14) | 0.81354 (14) | 0.08626 (13) | 0.0296 (5) | |
H28 | 0.0793 | 0.7848 | 0.1022 | 0.036* | |
C29 | 0.10389 (17) | 0.90954 (15) | 0.07162 (16) | 0.0412 (6) | |
H29A | 0.0991 | 0.9349 | 0.1237 | 0.062* | |
H29B | 0.0457 | 0.9154 | 0.0255 | 0.062* | |
H29C | 0.1510 | 0.9400 | 0.0563 | 0.062* | |
C30 | 0.12924 (17) | 0.77121 (17) | 0.00349 (15) | 0.0444 (6) | |
H30A | 0.1711 | 0.8029 | −0.0181 | 0.067* | |
H30B | 0.0681 | 0.7732 | −0.0387 | 0.067* | |
H30C | 0.1489 | 0.7106 | 0.0144 | 0.067* | |
C31 | 0.32141 (16) | 0.77539 (17) | 0.40392 (15) | 0.0396 (6) | |
H31 | 0.2605 | 0.7806 | 0.4104 | 0.047* | |
C32 | 0.35901 (18) | 0.68596 (17) | 0.43731 (17) | 0.0503 (7) | |
H32A | 0.3154 | 0.6411 | 0.4077 | 0.075* | |
H32B | 0.3694 | 0.6828 | 0.4984 | 0.075* | |
H32C | 0.4164 | 0.6766 | 0.4273 | 0.075* | |
C33 | 0.38110 (19) | 0.84697 (18) | 0.45728 (17) | 0.0527 (7) | |
H33A | 0.4413 | 0.8442 | 0.4518 | 0.079* | |
H33B | 0.3867 | 0.8391 | 0.5170 | 0.079* | |
H33C | 0.3537 | 0.9037 | 0.4374 | 0.079* | |
C34 | 0.1355 (2) | 0.5368 (2) | 0.4009 (2) | 0.0671 (9) | |
H34A | 0.1439 | 0.5389 | 0.3449 | 0.080* | |
H34B | 0.1838 | 0.4997 | 0.4390 | 0.080* | |
C35 | 0.0465 (2) | 0.4984 (2) | 0.3910 (2) | 0.0787 (10) | |
H35A | 0.0393 | 0.4935 | 0.4467 | 0.118* | |
H35B | 0.0425 | 0.4405 | 0.3655 | 0.118* | |
H35C | −0.0015 | 0.5356 | 0.3541 | 0.118* | |
C36 | 0.1703 (2) | 0.6252 (2) | 0.52730 (19) | 0.0634 (8) | |
H36A | 0.2238 | 0.5870 | 0.5510 | 0.076* | |
H36B | 0.1205 | 0.6015 | 0.5447 | 0.076* | |
C37 | 0.1928 (2) | 0.7146 (2) | 0.5615 (2) | 0.0735 (9) | |
H37A | 0.2436 | 0.7371 | 0.5459 | 0.110* | |
H37B | 0.2099 | 0.7134 | 0.6235 | 0.110* | |
H37C | 0.1399 | 0.7524 | 0.5376 | 0.110* | |
C38 | 0.22324 (19) | 1.06189 (16) | 0.36288 (18) | 0.0501 (7) | |
H38A | 0.2891 | 1.0646 | 0.3949 | 0.060* | |
H38B | 0.1971 | 1.1204 | 0.3636 | 0.060* | |
C39 | 0.2078 (2) | 1.03446 (19) | 0.27322 (18) | 0.0585 (8) | |
H39A | 0.2345 | 0.9769 | 0.2730 | 0.088* | |
H39B | 0.2362 | 1.0765 | 0.2461 | 0.088* | |
H39C | 0.1425 | 1.0320 | 0.2419 | 0.088* | |
C40 | 0.1824 (2) | 1.02817 (17) | 0.48366 (17) | 0.0531 (7) | |
H40A | 0.1527 | 1.0857 | 0.4788 | 0.064* | |
H40B | 0.2459 | 1.0341 | 0.5221 | 0.064* | |
C41 | 0.1340 (2) | 0.9638 (2) | 0.5192 (2) | 0.0736 (10) | |
H41A | 0.0724 | 0.9553 | 0.4791 | 0.110* | |
H41B | 0.1311 | 0.9853 | 0.5733 | 0.110* | |
H41C | 0.1666 | 0.9083 | 0.5284 | 0.110* |
U11 | U22 | U33 | U12 | U13 | U23 | |
P1 | 0.0227 (3) | 0.0283 (3) | 0.0269 (3) | 0.0008 (2) | 0.0101 (2) | 0.0007 (2) |
N1 | 0.0246 (10) | 0.0299 (10) | 0.0275 (10) | 0.0007 (8) | 0.0124 (8) | 0.0003 (8) |
N2 | 0.0220 (9) | 0.0331 (10) | 0.0261 (10) | 0.0002 (8) | 0.0101 (8) | 0.0020 (8) |
Li1 | 0.035 (2) | 0.042 (2) | 0.046 (3) | 0.0001 (18) | 0.017 (2) | 0.0103 (19) |
Li2 | 0.035 (2) | 0.040 (2) | 0.039 (2) | −0.0059 (18) | 0.0148 (19) | −0.0042 (18) |
O1 | 0.0601 (12) | 0.0511 (11) | 0.0489 (12) | 0.0004 (9) | 0.0155 (10) | 0.0183 (9) |
O2 | 0.0426 (10) | 0.0340 (9) | 0.0383 (10) | −0.0065 (7) | 0.0147 (8) | −0.0059 (7) |
C1 | 0.0283 (12) | 0.0337 (12) | 0.0261 (12) | −0.0011 (10) | 0.0105 (10) | −0.0006 (10) |
C2 | 0.0375 (14) | 0.0343 (13) | 0.0623 (18) | 0.0014 (11) | 0.0260 (14) | −0.0018 (12) |
C3 | 0.0573 (18) | 0.0360 (14) | 0.076 (2) | 0.0034 (13) | 0.0353 (17) | −0.0094 (14) |
C4 | 0.0591 (18) | 0.0357 (14) | 0.0627 (19) | −0.0106 (13) | 0.0280 (16) | −0.0057 (13) |
C5 | 0.0426 (15) | 0.0456 (15) | 0.0458 (16) | −0.0132 (13) | 0.0186 (13) | −0.0053 (12) |
C6 | 0.0326 (13) | 0.0387 (13) | 0.0319 (14) | −0.0025 (10) | 0.0130 (11) | −0.0032 (10) |
C10 | 0.0272 (12) | 0.0295 (12) | 0.0291 (13) | −0.0026 (9) | 0.0132 (10) | −0.0062 (10) |
C11 | 0.0305 (13) | 0.0315 (12) | 0.0304 (13) | 0.0020 (10) | 0.0123 (11) | −0.0021 (10) |
C12 | 0.0357 (14) | 0.0371 (13) | 0.0403 (15) | 0.0087 (11) | 0.0129 (12) | 0.0005 (11) |
C13 | 0.0279 (13) | 0.0466 (15) | 0.0554 (17) | 0.0040 (11) | 0.0199 (13) | −0.0074 (13) |
C14 | 0.0350 (14) | 0.0424 (14) | 0.0490 (16) | −0.0035 (11) | 0.0260 (13) | −0.0070 (12) |
C15 | 0.0308 (12) | 0.0295 (12) | 0.0365 (13) | −0.0029 (10) | 0.0178 (11) | −0.0060 (10) |
C16 | 0.0375 (13) | 0.0301 (12) | 0.0396 (14) | 0.0055 (11) | 0.0164 (12) | 0.0069 (10) |
C17 | 0.0546 (17) | 0.0528 (16) | 0.0472 (17) | 0.0085 (14) | 0.0203 (14) | 0.0150 (13) |
C18 | 0.0605 (18) | 0.0364 (14) | 0.066 (2) | −0.0060 (13) | 0.0288 (16) | −0.0023 (13) |
C19 | 0.0389 (14) | 0.0321 (13) | 0.0507 (16) | −0.0011 (11) | 0.0282 (13) | 0.0026 (11) |
C20 | 0.0622 (19) | 0.0398 (15) | 0.076 (2) | −0.0117 (14) | 0.0363 (17) | 0.0011 (14) |
C21 | 0.0630 (19) | 0.0478 (16) | 0.0504 (18) | 0.0025 (14) | 0.0217 (16) | 0.0094 (13) |
C22 | 0.0250 (11) | 0.0258 (11) | 0.0312 (12) | 0.0005 (9) | 0.0126 (10) | 0.0020 (9) |
C23 | 0.0268 (12) | 0.0267 (11) | 0.0306 (13) | 0.0002 (10) | 0.0110 (10) | 0.0012 (10) |
C24 | 0.0333 (13) | 0.0390 (13) | 0.0328 (13) | 0.0023 (11) | 0.0172 (11) | 0.0029 (11) |
C25 | 0.0271 (13) | 0.0496 (15) | 0.0432 (15) | 0.0047 (11) | 0.0176 (12) | 0.0063 (12) |
C26 | 0.0243 (12) | 0.0502 (15) | 0.0377 (15) | 0.0036 (11) | 0.0083 (11) | 0.0065 (11) |
C27 | 0.0252 (12) | 0.0394 (13) | 0.0309 (13) | 0.0023 (10) | 0.0101 (11) | 0.0053 (10) |
C28 | 0.0273 (12) | 0.0369 (12) | 0.0266 (12) | 0.0011 (10) | 0.0117 (10) | 0.0010 (10) |
C29 | 0.0387 (14) | 0.0436 (14) | 0.0375 (15) | 0.0022 (12) | 0.0080 (12) | 0.0049 (11) |
C30 | 0.0366 (14) | 0.0624 (17) | 0.0333 (15) | 0.0022 (12) | 0.0107 (12) | −0.0061 (12) |
C31 | 0.0253 (13) | 0.0609 (16) | 0.0313 (14) | 0.0034 (11) | 0.0081 (11) | 0.0081 (12) |
C32 | 0.0448 (16) | 0.0618 (17) | 0.0421 (16) | −0.0001 (14) | 0.0119 (13) | 0.0171 (14) |
C33 | 0.0561 (18) | 0.0648 (18) | 0.0361 (16) | 0.0009 (15) | 0.0141 (14) | 0.0006 (13) |
C34 | 0.077 (2) | 0.064 (2) | 0.070 (2) | 0.0063 (17) | 0.0373 (19) | 0.0111 (17) |
C35 | 0.091 (3) | 0.067 (2) | 0.085 (3) | 0.006 (2) | 0.039 (2) | 0.0074 (19) |
C36 | 0.066 (2) | 0.069 (2) | 0.054 (2) | 0.0034 (16) | 0.0180 (17) | 0.0218 (16) |
C37 | 0.071 (2) | 0.089 (3) | 0.062 (2) | −0.0142 (19) | 0.0238 (18) | 0.0080 (18) |
C38 | 0.0511 (17) | 0.0394 (15) | 0.0574 (18) | −0.0148 (13) | 0.0153 (15) | 0.0008 (13) |
C39 | 0.0593 (19) | 0.0634 (19) | 0.0548 (19) | −0.0232 (15) | 0.0217 (16) | 0.0038 (15) |
C40 | 0.0629 (19) | 0.0484 (16) | 0.0484 (17) | −0.0011 (14) | 0.0193 (15) | −0.0155 (13) |
C41 | 0.085 (2) | 0.098 (3) | 0.0489 (19) | −0.024 (2) | 0.0362 (18) | −0.0169 (17) |
P1—N2 | 1.7049 (18) | C21—H21C | 0.9800 |
P1—N1 | 1.7185 (17) | C22—C23 | 1.428 (3) |
P1—C1 | 1.868 (2) | C22—C27 | 1.431 (3) |
N1—C10 | 1.424 (3) | C23—C24 | 1.400 (3) |
N1—Li2 | 2.011 (4) | C23—C28 | 1.520 (3) |
N1—Li1 | 2.042 (4) | C24—C25 | 1.371 (3) |
N2—C22 | 1.404 (2) | C24—H24 | 0.9500 |
N2—Li2 | 2.021 (4) | C25—C26 | 1.377 (3) |
N2—Li1 | 2.081 (4) | C25—H25 | 0.9500 |
Li1—O1 | 1.939 (4) | C26—C27 | 1.392 (3) |
Li2—O2 | 1.900 (4) | C26—H26 | 0.9500 |
O1—C36 | 1.431 (3) | C27—C31 | 1.519 (3) |
O1—C34 | 1.484 (3) | C28—C29 | 1.525 (3) |
O2—C40 | 1.427 (3) | C28—C30 | 1.534 (3) |
O2—C38 | 1.444 (3) | C28—H28 | 1.0000 |
C1—C6 | 1.392 (3) | C29—H29A | 0.9800 |
C1—C2 | 1.396 (3) | C29—H29B | 0.9800 |
C2—C3 | 1.395 (3) | C29—H29C | 0.9800 |
C2—H2 | 0.9500 | C30—H30A | 0.9800 |
C3—C4 | 1.374 (4) | C30—H30B | 0.9800 |
C3—H3 | 0.9500 | C30—H30C | 0.9800 |
C4—C5 | 1.379 (3) | C31—C33 | 1.523 (4) |
C4—H4 | 0.9500 | C31—C32 | 1.526 (3) |
C5—C6 | 1.385 (3) | C31—H31 | 1.0000 |
C5—H5 | 0.9500 | C32—H32A | 0.9800 |
C6—H6 | 0.9500 | C32—H32B | 0.9800 |
C10—C11 | 1.419 (3) | C32—H32C | 0.9800 |
C10—C15 | 1.429 (3) | C33—H33A | 0.9800 |
C11—C12 | 1.395 (3) | C33—H33B | 0.9800 |
C11—C16 | 1.522 (3) | C33—H33C | 0.9800 |
C12—C13 | 1.377 (3) | C34—C35 | 1.471 (4) |
C12—H12 | 0.9500 | C34—H34A | 0.9900 |
C13—C14 | 1.375 (3) | C34—H34B | 0.9900 |
C13—H13 | 0.9500 | C35—H35A | 0.9800 |
C14—C15 | 1.389 (3) | C35—H35B | 0.9800 |
C14—H14 | 0.9500 | C35—H35C | 0.9800 |
C15—C19 | 1.516 (3) | C36—C37 | 1.486 (4) |
C16—C18 | 1.530 (3) | C36—H36A | 0.9900 |
C16—C17 | 1.530 (3) | C36—H36B | 0.9900 |
C16—H16 | 1.0000 | C37—H37A | 0.9800 |
C17—H17A | 0.9800 | C37—H37B | 0.9800 |
C17—H17B | 0.9800 | C37—H37C | 0.9800 |
C17—H17C | 0.9800 | C38—C39 | 1.497 (4) |
C18—H18A | 0.9800 | C38—H38A | 0.9900 |
C18—H18B | 0.9800 | C38—H38B | 0.9900 |
C18—H18C | 0.9800 | C39—H39A | 0.9800 |
C19—C20 | 1.527 (3) | C39—H39B | 0.9800 |
C19—C21 | 1.531 (4) | C39—H39C | 0.9800 |
C19—H19 | 1.0000 | C40—C41 | 1.488 (4) |
C20—H20A | 0.9800 | C40—H40A | 0.9900 |
C20—H20B | 0.9800 | C40—H40B | 0.9900 |
C20—H20C | 0.9800 | C41—H41A | 0.9800 |
C21—H21A | 0.9800 | C41—H41B | 0.9800 |
C21—H21B | 0.9800 | C41—H41C | 0.9800 |
N2—P1—N1 | 91.02 (9) | C23—C22—C27 | 117.38 (18) |
N2—P1—C1 | 101.50 (9) | C24—C23—C22 | 118.9 (2) |
N1—P1—C1 | 102.32 (9) | C24—C23—C28 | 117.49 (19) |
C10—N1—P1 | 115.26 (14) | C22—C23—C28 | 123.51 (18) |
C10—N1—Li2 | 128.72 (17) | C25—C24—C23 | 123.2 (2) |
P1—N1—Li2 | 86.47 (13) | C25—C24—H24 | 118.4 |
C10—N1—Li1 | 143.24 (17) | C23—C24—H24 | 118.4 |
P1—N1—Li1 | 81.88 (13) | C24—C25—C26 | 118.2 (2) |
Li2—N1—Li1 | 82.15 (17) | C24—C25—H25 | 120.9 |
C22—N2—P1 | 131.17 (15) | C26—C25—H25 | 120.9 |
C22—N2—Li2 | 123.56 (17) | C25—C26—C27 | 122.1 (2) |
P1—N2—Li2 | 86.50 (13) | C25—C26—H26 | 118.9 |
C22—N2—Li1 | 135.75 (17) | C27—C26—H26 | 118.9 |
P1—N2—Li1 | 81.03 (13) | C26—C27—C22 | 120.2 (2) |
Li2—N2—Li1 | 80.94 (17) | C26—C27—C31 | 117.1 (2) |
O1—Li1—N1 | 146.9 (2) | C22—C27—C31 | 122.72 (18) |
O1—Li1—N2 | 139.2 (2) | C23—C28—C29 | 110.98 (18) |
N1—Li1—N2 | 72.64 (14) | C23—C28—C30 | 113.86 (18) |
O2—Li2—N1 | 142.9 (2) | C29—C28—C30 | 110.17 (19) |
O2—Li2—N2 | 140.4 (2) | C23—C28—H28 | 107.2 |
N1—Li2—N2 | 74.57 (15) | C29—C28—H28 | 107.2 |
C36—O1—C34 | 112.0 (2) | C30—C28—H28 | 107.2 |
C36—O1—Li1 | 129.9 (2) | C28—C29—H29A | 109.5 |
C34—O1—Li1 | 117.5 (2) | C28—C29—H29B | 109.5 |
C40—O2—C38 | 111.61 (18) | H29A—C29—H29B | 109.5 |
C40—O2—Li2 | 123.05 (18) | C28—C29—H29C | 109.5 |
C38—O2—Li2 | 125.34 (18) | H29A—C29—H29C | 109.5 |
C6—C1—C2 | 117.1 (2) | H29B—C29—H29C | 109.5 |
C6—C1—P1 | 120.09 (16) | C28—C30—H30A | 109.5 |
C2—C1—P1 | 122.41 (16) | C28—C30—H30B | 109.5 |
C3—C2—C1 | 121.5 (2) | H30A—C30—H30B | 109.5 |
C3—C2—H2 | 119.2 | C28—C30—H30C | 109.5 |
C1—C2—H2 | 119.2 | H30A—C30—H30C | 109.5 |
C4—C3—C2 | 119.7 (2) | H30B—C30—H30C | 109.5 |
C4—C3—H3 | 120.2 | C27—C31—C33 | 112.2 (2) |
C2—C3—H3 | 120.2 | C27—C31—C32 | 111.7 (2) |
C3—C4—C5 | 120.0 (2) | C33—C31—C32 | 110.6 (2) |
C3—C4—H4 | 120.0 | C27—C31—H31 | 107.3 |
C5—C4—H4 | 120.0 | C33—C31—H31 | 107.3 |
C4—C5—C6 | 120.2 (2) | C32—C31—H31 | 107.3 |
C4—C5—H5 | 119.9 | C31—C32—H32A | 109.5 |
C6—C5—H5 | 119.9 | C31—C32—H32B | 109.5 |
C5—C6—C1 | 121.5 (2) | H32A—C32—H32B | 109.5 |
C5—C6—H6 | 119.2 | C31—C32—H32C | 109.5 |
C1—C6—H6 | 119.2 | H32A—C32—H32C | 109.5 |
C11—C10—N1 | 122.26 (18) | H32B—C32—H32C | 109.5 |
C11—C10—C15 | 117.89 (19) | C31—C33—H33A | 109.5 |
N1—C10—C15 | 119.85 (19) | C31—C33—H33B | 109.5 |
C12—C11—C10 | 119.4 (2) | H33A—C33—H33B | 109.5 |
C12—C11—C16 | 117.9 (2) | C31—C33—H33C | 109.5 |
C10—C11—C16 | 122.62 (19) | H33A—C33—H33C | 109.5 |
C13—C12—C11 | 121.9 (2) | H33B—C33—H33C | 109.5 |
C13—C12—H12 | 119.1 | C35—C34—O1 | 111.3 (2) |
C11—C12—H12 | 119.1 | C35—C34—H34A | 109.4 |
C14—C13—C12 | 119.1 (2) | O1—C34—H34A | 109.4 |
C14—C13—H13 | 120.4 | C35—C34—H34B | 109.4 |
C12—C13—H13 | 120.4 | O1—C34—H34B | 109.4 |
C13—C14—C15 | 121.6 (2) | H34A—C34—H34B | 108.0 |
C13—C14—H14 | 119.2 | C34—C35—H35A | 109.5 |
C15—C14—H14 | 119.2 | C34—C35—H35B | 109.5 |
C14—C15—C10 | 119.8 (2) | H35A—C35—H35B | 109.5 |
C14—C15—C19 | 119.22 (19) | C34—C35—H35C | 109.5 |
C10—C15—C19 | 120.97 (19) | H35A—C35—H35C | 109.5 |
C11—C16—C18 | 111.27 (18) | H35B—C35—H35C | 109.5 |
C11—C16—C17 | 113.0 (2) | O1—C36—C37 | 110.3 (2) |
C18—C16—C17 | 110.7 (2) | O1—C36—H36A | 109.6 |
C11—C16—H16 | 107.2 | C37—C36—H36A | 109.6 |
C18—C16—H16 | 107.2 | O1—C36—H36B | 109.6 |
C17—C16—H16 | 107.2 | C37—C36—H36B | 109.6 |
C16—C17—H17A | 109.5 | H36A—C36—H36B | 108.1 |
C16—C17—H17B | 109.5 | C36—C37—H37A | 109.5 |
H17A—C17—H17B | 109.5 | C36—C37—H37B | 109.5 |
C16—C17—H17C | 109.5 | H37A—C37—H37B | 109.5 |
H17A—C17—H17C | 109.5 | C36—C37—H37C | 109.5 |
H17B—C17—H17C | 109.5 | H37A—C37—H37C | 109.5 |
C16—C18—H18A | 109.5 | H37B—C37—H37C | 109.5 |
C16—C18—H18B | 109.5 | O2—C38—C39 | 108.9 (2) |
H18A—C18—H18B | 109.5 | O2—C38—H38A | 109.9 |
C16—C18—H18C | 109.5 | C39—C38—H38A | 109.9 |
H18A—C18—H18C | 109.5 | O2—C38—H38B | 109.9 |
H18B—C18—H18C | 109.5 | C39—C38—H38B | 109.9 |
C15—C19—C20 | 114.0 (2) | H38A—C38—H38B | 108.3 |
C15—C19—C21 | 110.12 (19) | C38—C39—H39A | 109.5 |
C20—C19—C21 | 110.3 (2) | C38—C39—H39B | 109.5 |
C15—C19—H19 | 107.4 | H39A—C39—H39B | 109.5 |
C20—C19—H19 | 107.4 | C38—C39—H39C | 109.5 |
C21—C19—H19 | 107.4 | H39A—C39—H39C | 109.5 |
C19—C20—H20A | 109.5 | H39B—C39—H39C | 109.5 |
C19—C20—H20B | 109.5 | O2—C40—C41 | 109.3 (2) |
H20A—C20—H20B | 109.5 | O2—C40—H40A | 109.8 |
C19—C20—H20C | 109.5 | C41—C40—H40A | 109.8 |
H20A—C20—H20C | 109.5 | O2—C40—H40B | 109.8 |
H20B—C20—H20C | 109.5 | C41—C40—H40B | 109.8 |
C19—C21—H21A | 109.5 | H40A—C40—H40B | 108.3 |
C19—C21—H21B | 109.5 | C40—C41—H41A | 109.5 |
H21A—C21—H21B | 109.5 | C40—C41—H41B | 109.5 |
C19—C21—H21C | 109.5 | H41A—C41—H41B | 109.5 |
H21A—C21—H21C | 109.5 | C40—C41—H41C | 109.5 |
H21B—C21—H21C | 109.5 | H41A—C41—H41C | 109.5 |
N2—C22—C23 | 126.8 (2) | H41B—C41—H41C | 109.5 |
N2—C22—C27 | 115.81 (18) |