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Acta Cryst. (2013). E69, m121    [ doi:10.1107/S160053681300158X ]

{Bis[N,N'-dicyclohexyl-N'',N''-bis(trimethylsilyl)guanidinato-[kappa]2N,N']neodymium(III)}di-[mu]-chlorido-[bis(tetrahydrofuran-[kappa]O)lithium]

S.-H. Chi and J. Chen

Abstract top

In the title monomeric rare earth complex, [LiNd(C19H40N3Si2)2Cl2(C4H8O)2], the [(Me3Si)2NC(NCy)2]2Nd+ (Me is methyl, Cy is cyclohexyl) and Li(THF)2+ units (THF is tetrahydrofuran) are connected by two bridging Cl atoms. The Nd3+ ion is coordinated by two guanidinate ligands and two Cl atoms, forming a distorted chelating octahedral geometry. The Li+ ion is four-coordinated by two Cl atoms and two O atoms from THF molecules in a distorted tetrahedral geometry.

Comment top

Rare earth metal chlorides are important precursors for preparing rare-earth metal derivatives such as Ln—C and Ln—N σ-bonded complexes (Trifonov, 2010). In the title complex, the Nd—N distances range from 2.405 (3) to 2.481 (3) Å, which are consistent with those in {(i-PrN)2C[N(SiMe3)2]}2Nd(µ-Cl)2Li(THF)2 (2.398 (7) to 2.477 (7) Å) and {(i-PrN)2C[N(i-Pr)2]}2Nd(µ-Cl)2Li(TMEDA) (2.406 (3) to 2.475 (3) Å; Luo et al., 2003), suggesting the delocalization of π-electrons within the NCN fragments in the guanidinato ligands. The Nd—Cl distances are 2.7621 (11) and 2.7667 (11) Å, which are comparable to those in {(i-PrN)2C[N(SiMe3)2]}2Nd(µ-Cl)2Li(THF)2 (2.746 (3) to 2.768 (3) Å) and {(i-PrN)2C[N(i-Pr)2]}2Nd(µ-Cl)2Li(TMEDA) (2.7888 (9) to 2.7747 (9) Å; Luo et al., 2003). The orientation of the N(SiMe3)2 groups relative to the NCNNd plane is approximately perpendicular, which increases the steric bulk above and below the planar guanidinato ligand.

Related literature top

For the synthesis of analogous ate bis(guanidinato) rare earth complexes, see: Luo et al. (2003). For a review of ate bis(guanidinato) rare earth complexes, see: Trifonov (2010).

Experimental top

The bis(guanidinato) neodymium chloride ate complex was prepared by the reaction of NdCl3 with 2 equiv. of guanidinato lithium in THF at room temperature. Blue crystals suitable for X-ray analysis were grown from a toluene solution at 243 K.

Refinement top

H-atoms were placed in calculated positions, with Csp—H = 0.99 Å, Csp2—H = 0.98 Å, Csp3—H = 0.97 Å and were included in the refinement in the riding model approximation, with Uiso(H) = 1.2Ueq(Csp, N) or 1.2Ueq(Csp2) or 1.5Ueq(Csp3). Four restraints and constraints (DFIX, EADP) were used to regularize some small parts of the structure.

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear (Rigaku, 2000); data reduction: CrystalStructure (Rigaku, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. Molecular structure of the title compound with displacement elliposids drawn at the 10% probability level. Atoms with suffix A are generated by the symmetry operation (1 - x, 1 - y, 1 - z).
{Bis[N,N'-dicyclohexyl-N'',N''-bis(trimethylsilyl)guanidinato-κ2N,N']neodymium(III)}di-µ-chlorido-[bis(tetrahydrofuran-κO)lithium] top
Crystal data top
[LiNd(C19H40N3Si2)2Cl2(C4H8O)2]F(000) = 2332
Mr = 1099.73Dx = 1.220 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ybcCell parameters from 22051 reflections
a = 24.1739 (16) Åθ = 3.0–27.5°
b = 13.5238 (8) ŵ = 1.07 mm−1
c = 18.8108 (13) ÅT = 223 K
β = 103.215 (2)°Block, blue
V = 5986.8 (7) Å30.40 × 0.40 × 0.30 mm
Z = 4
Data collection top
Rigaku Saturn
diffractometer		11104 independent reflections
Radiation source: fine-focus sealed tube9767 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.051
Detector resolution: 14.63 pixels mm-1θmax = 25.5°, θmin = 3.0°
ω scansh = −26→29
Absorption correction: multi-scan
(REQAB; Jacobson, 1998)		k = −13→16
Tmin = 0.464, Tmax = 0.752l = −22→22
35442 measured reflections
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)] = 0.051Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.111H-atom parameters constrained
S = 1.17 w = 1/[σ2(Fo2) + (0.0336P)2 + 2.446P]
where P = (Fo2 + 2Fc2)/3
11104 reflections(Δ/σ)max = 0.002
554 parametersΔρmax = 0.74 e Å−3
3 restraintsΔρmin = −1.21 e Å−3
Crystal data top
[LiNd(C19H40N3Si2)2Cl2(C4H8O)2]V = 5986.8 (7) Å3
Mr = 1099.73Z = 4
Monoclinic, P21/cMo Kα radiation
a = 24.1739 (16) ŵ = 1.07 mm−1
b = 13.5238 (8) ÅT = 223 K
c = 18.8108 (13) Å0.40 × 0.40 × 0.30 mm
β = 103.215 (2)°
Data collection top
Rigaku Saturn
diffractometer		11104 independent reflections
Absorption correction: multi-scan
(REQAB; Jacobson, 1998)		9767 reflections with I > 2σ(I)
Tmin = 0.464, Tmax = 0.752Rint = 0.051
35442 measured reflectionsθmax = 25.5°
Refinement top
R[F2 > 2σ(F2)] = 0.051H-atom parameters constrained
wR(F2) = 0.111Δρmax = 0.74 e Å−3
S = 1.17Δρmin = −1.21 e Å−3
11104 reflectionsAbsolute structure: ?
554 parametersFlack parameter: ?
3 restraintsRogers parameter: ?
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
Nd10.753934 (8)0.681163 (16)0.493605 (11)0.03401 (9)
Cl10.72460 (5)0.82878 (8)0.57959 (6)0.0490 (3)
Cl20.78168 (5)0.84300 (8)0.41875 (6)0.0479 (3)
Si10.92517 (5)0.44819 (10)0.64320 (7)0.0501 (3)
Si20.88678 (5)0.59797 (10)0.74807 (6)0.0492 (3)
Si30.59076 (6)0.44378 (11)0.32461 (8)0.0569 (4)
Si40.61562 (5)0.62828 (10)0.24047 (6)0.0463 (3)
O10.78568 (17)1.0620 (3)0.5248 (2)0.0724 (10)
O20.67309 (16)1.0011 (3)0.43762 (18)0.0796 (12)
N10.85395 (13)0.6531 (3)0.55572 (17)0.0368 (8)
N20.78750 (13)0.5577 (3)0.58538 (18)0.0403 (8)
N30.88311 (13)0.5457 (2)0.66146 (17)0.0383 (8)
N40.65391 (13)0.6378 (3)0.43657 (17)0.0408 (8)
N50.72343 (13)0.5678 (3)0.39276 (17)0.0398 (8)
N60.62701 (13)0.5540 (3)0.31891 (17)0.0390 (8)
C10.84171 (16)0.5852 (3)0.6009 (2)0.0348 (9)
C20.90922 (16)0.7015 (3)0.5676 (2)0.0375 (9)
H20.93710.66240.60340.045*
C30.90659 (17)0.8054 (3)0.5973 (2)0.0450 (11)
H3A0.89600.80180.64450.054*
H3B0.87710.84300.56380.054*
C40.96352 (19)0.8600 (4)0.6070 (3)0.0558 (12)
H4A0.95930.92770.62380.067*
H4B0.99220.82650.64450.067*
C50.9834 (2)0.8634 (4)0.5361 (3)0.0587 (13)
H5A1.02100.89410.54470.070*
H5B0.95700.90360.50020.070*
C60.98606 (18)0.7594 (4)0.5064 (3)0.0538 (12)
H6A1.01520.72140.54020.065*
H6B0.99710.76290.45940.065*
C70.92895 (17)0.7061 (3)0.4959 (2)0.0455 (11)
H7A0.93260.63890.47810.055*
H7B0.90040.74100.45900.055*
C80.76545 (17)0.4788 (3)0.6239 (2)0.0448 (10)
H80.79220.46710.67150.054*
C90.7578 (2)0.3830 (4)0.5796 (3)0.0598 (13)
H9A0.73400.39640.53100.072*
H9B0.79510.36090.57330.072*
C100.7309 (3)0.3000 (4)0.6148 (3)0.0836 (18)
H10A0.72500.24230.58240.100*
H10B0.75670.28070.66090.100*
C110.6750 (3)0.3323 (5)0.6294 (4)0.093 (2)
H11A0.66020.27980.65580.111*
H11B0.64760.34280.58280.111*
C120.6812 (3)0.4270 (5)0.6740 (3)0.092 (2)
H12A0.70510.41430.72270.111*
H12B0.64370.44830.67970.111*
C130.7081 (2)0.5101 (4)0.6370 (3)0.0702 (15)
H13A0.68250.52710.59020.084*
H13B0.71300.56920.66800.084*
C141.0021 (2)0.4727 (5)0.6799 (4)0.0865 (19)
H14A1.01270.53330.65880.130*
H14B1.02420.41810.66750.130*
H14C1.00960.47940.73260.130*
C150.9085 (2)0.3303 (4)0.6860 (3)0.0695 (15)
H15A0.92020.33580.73870.104*
H15B0.92880.27610.66950.104*
H15C0.86800.31780.67180.104*
C160.9122 (2)0.4321 (4)0.5427 (3)0.0664 (14)
H16A0.87160.43230.52180.100*
H16B0.92820.36960.53190.100*
H16C0.93000.48580.52200.100*
C170.8280 (2)0.6869 (4)0.7429 (3)0.0648 (15)
H17A0.82590.73010.70120.097*
H17B0.83480.72610.78720.097*
H17C0.79250.65120.73750.097*
C180.9561 (2)0.6635 (5)0.7819 (3)0.087 (2)
H18A0.98660.61540.79300.131*
H18B0.95480.70050.82570.131*
H18C0.96270.70850.74460.131*
C190.8819 (3)0.5016 (4)0.8170 (3)0.0775 (17)
H19A0.84700.46430.80080.116*
H19B0.88200.53290.86340.116*
H19C0.91420.45720.82270.116*
C200.66817 (16)0.5861 (3)0.3829 (2)0.0387 (9)
C210.59533 (16)0.6686 (4)0.4337 (2)0.0448 (11)
H210.56950.62960.39550.054*
C220.58665 (19)0.7770 (4)0.4154 (3)0.0602 (13)
H22A0.59630.79020.36840.072*
H22B0.61200.81650.45280.072*
C230.5246 (2)0.8076 (5)0.4111 (3)0.0776 (18)
H23A0.52010.87840.40040.093*
H23B0.49940.77140.37140.093*
C240.5081 (2)0.7857 (7)0.4823 (4)0.101 (3)
H24A0.46780.80100.47730.121*
H24B0.53020.82810.52080.121*
C250.5187 (2)0.6784 (6)0.5040 (4)0.100 (3)
H25A0.49310.63640.46860.119*
H25B0.51030.66780.55200.119*
C260.58040 (19)0.6480 (5)0.5071 (3)0.0718 (16)
H26A0.60610.68530.54570.086*
H26B0.58530.57750.51870.086*
C270.74792 (17)0.5121 (3)0.3410 (2)0.0422 (10)
H270.72060.51180.29290.051*
C280.7607 (2)0.4056 (4)0.3660 (3)0.0586 (13)
H28A0.72530.37270.36950.070*
H28B0.78610.40550.41480.070*
C290.7886 (2)0.3477 (4)0.3131 (3)0.0745 (16)
H29A0.79820.28090.33220.089*
H29B0.76180.34180.26560.089*
C300.8424 (2)0.3999 (5)0.3034 (3)0.0858 (19)
H30A0.87100.39850.34970.103*
H30B0.85790.36480.26680.103*
C310.8301 (2)0.5058 (5)0.2797 (3)0.0762 (17)
H31A0.80460.50700.23100.091*
H31B0.86560.53870.27660.091*
C320.80272 (19)0.5617 (4)0.3330 (3)0.0595 (13)
H32A0.79450.62960.31560.071*
H32B0.82940.56470.38080.071*
C330.6103 (2)0.3968 (4)0.4199 (3)0.0744 (16)
H33A0.65020.37920.43220.112*
H33B0.58750.33900.42430.112*
H33C0.60330.44790.45300.112*
C340.6078 (3)0.3470 (4)0.2629 (3)0.0862 (19)
H34A0.59310.36660.21250.129*
H34B0.59060.28490.27200.129*
H34C0.64870.33900.27190.129*
C350.5124 (2)0.4640 (5)0.2975 (4)0.092 (2)
H35A0.50180.51610.32730.138*
H35B0.49290.40340.30460.138*
H35C0.50180.48310.24640.138*
C360.6158 (2)0.5520 (4)0.1583 (2)0.0680 (15)
H36A0.64970.51140.16720.102*
H36B0.61520.59500.11690.102*
H36C0.58240.50980.14800.102*
C370.5443 (2)0.6893 (4)0.2223 (3)0.0716 (16)
H37A0.51500.63930.21860.107*
H37B0.53830.72590.17680.107*
H37C0.54270.73420.26190.107*
C380.6709 (2)0.7261 (4)0.2506 (3)0.0575 (12)
H38A0.67430.75930.29720.086*
H38B0.66010.77370.21130.086*
H38C0.70700.69640.24870.086*
C390.7944 (3)1.1257 (5)0.4664 (3)0.0856 (18)
H39A0.76701.18030.45920.103*
H39B0.78891.08830.42080.103*
C400.8531 (3)1.1650 (5)0.4870 (4)0.092 (2)
H40A0.85351.23290.50520.110*
H40B0.87111.16370.44530.110*
C410.8827 (3)1.0970 (6)0.5456 (4)0.102 (2)
H41A0.91371.13080.57960.122*
H41B0.89801.03930.52500.122*
C420.8360 (3)1.0672 (4)0.5831 (3)0.0775 (17)
H42A0.84431.00290.60720.093*
H42B0.83161.11660.61950.093*
C430.6595 (3)1.0083 (6)0.3598 (3)0.1053 (12)
H43A0.64310.94620.33770.126*
H43B0.69361.02330.34190.126*
C440.6189 (3)1.0875 (6)0.3424 (3)0.1053 (12)
H44A0.58991.07150.29830.126*
H44B0.63791.14890.33380.126*
C450.5926 (3)1.0989 (6)0.4057 (3)0.1053 (12)
H45A0.58581.16880.41440.126*
H45B0.55641.06320.39740.126*
C460.6339 (3)1.0565 (6)0.4675 (3)0.1053 (12)
H46A0.65361.10910.49930.126*
H46B0.61471.01350.49630.126*
Li10.7431 (3)0.9442 (6)0.4956 (4)0.0509 (19)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Nd10.03086 (13)0.03540 (15)0.03492 (14)0.00010 (9)0.00580 (10)0.00130 (9)
Cl10.0601 (7)0.0484 (7)0.0435 (6)0.0081 (5)0.0224 (5)0.0024 (5)
Cl20.0561 (6)0.0458 (6)0.0468 (6)0.0009 (5)0.0218 (5)0.0059 (5)
Si10.0421 (7)0.0415 (8)0.0635 (8)0.0118 (6)0.0057 (6)0.0002 (6)
Si20.0571 (7)0.0538 (8)0.0343 (6)0.0063 (7)0.0052 (6)−0.0010 (6)
Si30.0517 (7)0.0548 (9)0.0592 (8)−0.0203 (7)0.0023 (7)0.0014 (7)
Si40.0452 (7)0.0558 (8)0.0371 (6)−0.0093 (6)0.0079 (5)−0.0010 (6)
O10.105 (3)0.051 (2)0.068 (2)−0.012 (2)0.033 (2)0.0006 (18)
O20.097 (3)0.092 (3)0.054 (2)0.046 (2)0.027 (2)0.021 (2)
N10.0325 (17)0.041 (2)0.0369 (18)0.0020 (15)0.0077 (15)0.0048 (16)
N20.0375 (18)0.040 (2)0.0433 (19)−0.0017 (16)0.0084 (16)0.0063 (16)
N30.0391 (18)0.039 (2)0.0346 (17)0.0077 (16)0.0031 (15)0.0037 (15)
N40.0328 (17)0.054 (2)0.0368 (18)−0.0058 (16)0.0100 (15)−0.0073 (17)
N50.0347 (17)0.049 (2)0.0364 (18)−0.0014 (16)0.0092 (15)−0.0051 (16)
N60.0366 (17)0.044 (2)0.0346 (17)−0.0097 (16)0.0053 (15)−0.0030 (16)
C10.039 (2)0.031 (2)0.034 (2)0.0019 (18)0.0081 (18)−0.0041 (17)
C20.034 (2)0.035 (2)0.042 (2)0.0020 (18)0.0069 (18)0.0025 (19)
C30.042 (2)0.047 (3)0.047 (2)−0.003 (2)0.011 (2)−0.007 (2)
C40.053 (3)0.050 (3)0.059 (3)−0.011 (2)0.000 (2)−0.007 (2)
C50.049 (3)0.059 (3)0.067 (3)−0.014 (2)0.010 (2)0.006 (3)
C60.042 (2)0.062 (3)0.060 (3)−0.003 (2)0.017 (2)0.006 (3)
C70.035 (2)0.050 (3)0.052 (3)−0.001 (2)0.011 (2)−0.004 (2)
C80.046 (2)0.046 (3)0.042 (2)−0.004 (2)0.011 (2)0.007 (2)
C90.062 (3)0.054 (3)0.061 (3)−0.013 (3)0.009 (3)0.008 (3)
C100.107 (5)0.058 (4)0.088 (4)−0.033 (4)0.026 (4)0.011 (3)
C110.100 (5)0.099 (5)0.077 (4)−0.049 (4)0.016 (4)0.026 (4)
C120.076 (4)0.122 (6)0.092 (4)−0.023 (4)0.045 (4)0.019 (4)
C130.056 (3)0.079 (4)0.085 (4)−0.003 (3)0.035 (3)0.012 (3)
C140.047 (3)0.079 (4)0.131 (5)0.019 (3)0.014 (3)0.003 (4)
C150.072 (3)0.048 (3)0.085 (4)0.018 (3)0.008 (3)0.010 (3)
C160.089 (4)0.046 (3)0.072 (3)0.019 (3)0.034 (3)−0.008 (3)
C170.084 (4)0.070 (4)0.042 (3)0.027 (3)0.018 (3)0.001 (2)
C180.083 (4)0.111 (5)0.059 (3)−0.021 (4)−0.003 (3)−0.027 (3)
C190.104 (4)0.084 (4)0.044 (3)0.023 (4)0.017 (3)0.019 (3)
C200.036 (2)0.041 (2)0.039 (2)−0.0090 (19)0.0073 (18)0.0025 (19)
C210.027 (2)0.066 (3)0.042 (2)−0.003 (2)0.0076 (18)−0.007 (2)
C220.045 (3)0.067 (4)0.069 (3)0.001 (3)0.014 (2)−0.012 (3)
C230.049 (3)0.091 (5)0.090 (4)0.020 (3)0.011 (3)−0.016 (3)
C240.043 (3)0.174 (8)0.084 (5)0.025 (4)0.012 (3)−0.045 (5)
C250.055 (4)0.180 (8)0.075 (4)0.003 (4)0.040 (3)0.005 (5)
C260.044 (3)0.119 (5)0.058 (3)0.004 (3)0.024 (2)0.010 (3)
C270.043 (2)0.045 (3)0.039 (2)0.001 (2)0.0109 (19)−0.007 (2)
C280.070 (3)0.050 (3)0.059 (3)0.000 (3)0.020 (3)−0.006 (2)
C290.087 (4)0.060 (4)0.077 (4)0.014 (3)0.020 (3)−0.014 (3)
C300.076 (4)0.105 (5)0.083 (4)0.029 (4)0.031 (3)−0.014 (4)
C310.067 (3)0.089 (5)0.084 (4)0.006 (3)0.041 (3)−0.012 (3)
C320.055 (3)0.061 (3)0.071 (3)−0.005 (2)0.034 (3)−0.008 (3)
C330.080 (4)0.067 (4)0.076 (4)−0.026 (3)0.018 (3)0.017 (3)
C340.109 (5)0.065 (4)0.076 (4)−0.026 (4)0.002 (4)−0.015 (3)
C350.057 (3)0.097 (5)0.112 (5)−0.034 (3)−0.003 (3)0.010 (4)
C360.083 (4)0.078 (4)0.044 (3)−0.021 (3)0.019 (3)−0.007 (3)
C370.059 (3)0.087 (4)0.065 (3)0.008 (3)0.006 (3)0.020 (3)
C380.063 (3)0.059 (3)0.051 (3)−0.013 (3)0.015 (2)0.002 (2)
C390.108 (5)0.059 (4)0.095 (5)−0.006 (4)0.035 (4)0.014 (3)
C400.105 (5)0.070 (4)0.110 (5)−0.012 (4)0.042 (4)0.005 (4)
C410.106 (5)0.099 (6)0.110 (5)−0.005 (4)0.044 (4)0.017 (5)
C420.109 (5)0.061 (4)0.064 (3)−0.004 (3)0.022 (4)−0.015 (3)
C430.119 (3)0.127 (3)0.075 (2)0.055 (2)0.032 (2)0.016 (2)
C440.119 (3)0.127 (3)0.075 (2)0.055 (2)0.032 (2)0.016 (2)
C450.119 (3)0.127 (3)0.075 (2)0.055 (2)0.032 (2)0.016 (2)
C460.119 (3)0.127 (3)0.075 (2)0.055 (2)0.032 (2)0.016 (2)
Li10.061 (5)0.049 (5)0.046 (4)0.010 (4)0.019 (4)0.007 (3)
Geometric parameters (Å, º) top
Li1—Cl12.336 (7)C16—H16C0.9700
Li1—Cl22.335 (7)C17—H17A0.9700
Li1—O11.907 (9)C17—H17B0.9700
Li1—O21.951 (8)C17—H17C0.9700
Nd1—Cl12.7621 (11)C18—H18A0.9700
Nd1—Cl22.7667 (11)C18—H18B0.9700
Nd1—N12.462 (3)C18—H18C0.9700
Nd1—N22.405 (3)C19—H19A0.9700
Nd1—N42.481 (3)C19—H19B0.9700
Nd1—N52.419 (3)C19—H19C0.9700
Nd1—C12.881 (4)C21—C221.510 (7)
Nd1—C202.883 (4)C21—C261.530 (6)
O2—C461.421 (6)C21—H210.9900
O2—C431.428 (6)C22—C231.540 (6)
Si1—N31.747 (3)C22—H22A0.9800
Si1—C161.856 (5)C22—H22B0.9800
Si1—C141.860 (5)C23—C241.511 (8)
Si1—C151.871 (5)C23—H23A0.9800
Si2—N31.759 (3)C23—H23B0.9800
Si2—C171.847 (5)C24—C251.514 (9)
Si2—C191.861 (5)C24—H24A0.9800
Si2—C181.874 (6)C24—H24B0.9800
Si3—N61.745 (4)C25—C261.534 (7)
Si3—C341.858 (6)C25—H25A0.9800
Si3—C331.859 (5)C25—H25B0.9800
Si3—C351.865 (5)C26—H26A0.9800
Si4—N61.754 (3)C26—H26B0.9800
Si4—C381.858 (5)C27—C321.523 (6)
Si4—C361.859 (5)C27—C281.524 (6)
Si4—C371.870 (5)C27—H270.9900
O1—C421.442 (6)C28—C291.539 (6)
O1—C391.449 (6)C28—H28A0.9800
N1—C11.329 (5)C28—H28B0.9800
N1—C21.458 (5)C29—C301.527 (8)
N2—C11.329 (5)C29—H29A0.9800
N2—C81.458 (5)C29—H29B0.9800
N3—C11.437 (5)C30—C311.510 (8)
N4—C201.337 (5)C30—H30A0.9800
N4—C211.465 (5)C30—H30B0.9800
N5—C201.329 (5)C31—C321.523 (6)
N5—C271.459 (5)C31—H31A0.9800
N6—C201.442 (5)C31—H31B0.9800
C2—C31.520 (6)C32—H32A0.9800
C2—C71.531 (5)C32—H32B0.9800
C2—H20.9900C33—H33A0.9700
C3—C41.535 (6)C33—H33B0.9700
C3—H3A0.9800C33—H33C0.9700
C3—H3B0.9800C34—H34A0.9700
C4—C51.518 (6)C34—H34B0.9700
C4—H4A0.9800C34—H34C0.9700
C4—H4B0.9800C35—H35A0.9700
C5—C61.521 (7)C35—H35B0.9700
C5—H5A0.9800C35—H35C0.9700
C5—H5B0.9800C36—H36A0.9700
C6—C71.530 (6)C36—H36B0.9700
C6—H6A0.9800C36—H36C0.9700
C6—H6B0.9800C37—H37A0.9700
C7—H7A0.9800C37—H37B0.9700
C7—H7B0.9800C37—H37C0.9700
C8—C131.523 (6)C38—H38A0.9700
C8—C91.530 (6)C38—H38B0.9700
C8—H80.9900C38—H38C0.9700
C9—C101.522 (6)C39—C401.483 (8)
C9—H9A0.9800C39—H39A0.9800
C9—H9B0.9800C39—H39B0.9800
C10—C111.504 (8)C40—C411.487 (9)
C10—H10A0.9800C40—H40A0.9800
C10—H10B0.9800C40—H40B0.9800
C11—C121.520 (9)C41—C421.515 (8)
C11—H11A0.9800C41—H41A0.9800
C11—H11B0.9800C41—H41B0.9800
C12—C131.542 (7)C42—H42A0.9800
C12—H12A0.9800C42—H42B0.9800
C12—H12B0.9800C43—C441.438 (7)
C13—H13A0.9800C43—H43A0.9800
C13—H13B0.9800C43—H43B0.9800
C14—H14A0.9700C44—C451.480 (7)
C14—H14B0.9700C44—H44A0.9800
C14—H14C0.9700C44—H44B0.9800
C15—H15A0.9700C45—C461.466 (7)
C15—H15B0.9700C45—H45A0.9800
C15—H15C0.9700C45—H45B0.9800
C16—H16A0.9700C46—H46A0.9800
C16—H16B0.9700C46—H46B0.9800
N2—Nd1—N596.62 (12)H17A—C17—H17C109.5
N2—Nd1—N154.47 (11)H17B—C17—H17C109.5
N5—Nd1—N1111.38 (11)Si2—C18—H18A109.5
N2—Nd1—N4106.36 (11)Si2—C18—H18B109.5
N5—Nd1—N454.47 (10)H18A—C18—H18B109.5
N1—Nd1—N4157.35 (12)Si2—C18—H18C109.5
N2—Nd1—Cl199.85 (8)H18A—C18—H18C109.5
N5—Nd1—Cl1147.58 (8)H18B—C18—H18C109.5
N1—Nd1—Cl1100.91 (8)Si2—C19—H19A109.5
N4—Nd1—Cl193.95 (8)Si2—C19—H19B109.5
N2—Nd1—Cl2146.42 (8)H19A—C19—H19B109.5
N5—Nd1—Cl299.68 (8)Si2—C19—H19C109.5
N1—Nd1—Cl292.15 (8)H19A—C19—H19C109.5
N4—Nd1—Cl2107.02 (9)H19B—C19—H19C109.5
Cl1—Nd1—Cl281.42 (3)N5—C20—N4114.6 (4)
N2—Nd1—C127.26 (10)N5—C20—N6122.7 (4)
N5—Nd1—C1107.92 (11)N4—C20—N6122.7 (3)
N1—Nd1—C127.40 (10)N5—C20—Nd156.5 (2)
N4—Nd1—C1133.26 (12)N4—C20—Nd159.2 (2)
Cl1—Nd1—C199.31 (8)N6—C20—Nd1169.1 (3)
Cl2—Nd1—C1119.17 (8)N4—C21—C22111.6 (4)
N2—Nd1—C20106.13 (12)N4—C21—C26109.9 (4)
N5—Nd1—C2027.27 (10)C22—C21—C26109.5 (4)
N1—Nd1—C20137.72 (11)N4—C21—H21108.6
N4—Nd1—C2027.57 (10)C22—C21—H21108.6
Cl1—Nd1—C20120.45 (9)C26—C21—H21108.6
Cl2—Nd1—C20101.71 (8)C21—C22—C23110.8 (4)
C1—Nd1—C20126.73 (12)C21—C22—H22A109.5
N2—Nd1—Li1134.25 (14)C23—C22—H22A109.5
N5—Nd1—Li1129.07 (14)C21—C22—H22B109.5
N1—Nd1—Li1102.41 (15)C23—C22—H22B109.5
N4—Nd1—Li1100.02 (15)H22A—C22—H22B108.1
Cl1—Nd1—Li140.87 (11)C24—C23—C22110.7 (5)
Cl2—Nd1—Li140.85 (11)C24—C23—H23A109.5
C1—Nd1—Li1119.04 (15)C22—C23—H23A109.5
C20—Nd1—Li1114.21 (15)C24—C23—H23B109.5
Li1—Cl1—Nd188.43 (19)C22—C23—H23B109.5
Li1—Cl2—Nd188.34 (19)H23A—C23—H23B108.1
N3—Si1—C16108.57 (19)C23—C24—C25111.3 (5)
N3—Si1—C14111.7 (2)C23—C24—H24A109.4
C16—Si1—C14108.7 (3)C25—C24—H24A109.4
N3—Si1—C15111.5 (2)C23—C24—H24B109.4
C16—Si1—C15109.5 (3)C25—C24—H24B109.4
C14—Si1—C15106.7 (3)H24A—C24—H24B108.0
N3—Si2—C17109.71 (19)C24—C25—C26111.7 (5)
N3—Si2—C19111.5 (2)C24—C25—H25A109.3
C17—Si2—C19108.8 (2)C26—C25—H25A109.3
N3—Si2—C18110.9 (2)C24—C25—H25B109.3
C17—Si2—C18109.1 (3)C26—C25—H25B109.3
C19—Si2—C18106.8 (3)H25A—C25—H25B107.9
N6—Si3—C34112.1 (2)C21—C26—C25110.2 (4)
N6—Si3—C33109.3 (2)C21—C26—H26A109.6
C34—Si3—C33108.6 (3)C25—C26—H26A109.6
N6—Si3—C35110.5 (2)C21—C26—H26B109.6
C34—Si3—C35106.8 (3)C25—C26—H26B109.6
C33—Si3—C35109.4 (3)H26A—C26—H26B108.1
N6—Si4—C38110.51 (19)N5—C27—C32109.5 (3)
N6—Si4—C36110.6 (2)N5—C27—C28111.5 (3)
C38—Si4—C36110.0 (2)C32—C27—C28109.1 (4)
N6—Si4—C37111.6 (2)N5—C27—H27108.9
C38—Si4—C37108.4 (3)C32—C27—H27108.9
C36—Si4—C37105.6 (3)C28—C27—H27108.9
C42—O1—C39107.7 (4)C27—C28—C29111.7 (4)
C42—O1—Li1124.5 (4)C27—C28—H28A109.3
C39—O1—Li1116.2 (4)C29—C28—H28A109.3
C46—O2—C43110.5 (4)C27—C28—H28B109.3
C46—O2—Li1124.0 (4)C29—C28—H28B109.3
C43—O2—Li1124.6 (4)H28A—C28—H28B108.0
C1—N1—C2122.8 (3)C30—C29—C28110.7 (5)
C1—N1—Nd194.1 (2)C30—C29—H29A109.5
C2—N1—Nd1140.3 (3)C28—C29—H29A109.5
C1—N2—C8123.4 (3)C30—C29—H29B109.5
C1—N2—Nd196.7 (2)C28—C29—H29B109.5
C8—N2—Nd1139.8 (3)H29A—C29—H29B108.1
C1—N3—Si1117.2 (2)C31—C30—C29111.0 (5)
C1—N3—Si2117.6 (2)C31—C30—H30A109.4
Si1—N3—Si2125.24 (19)C29—C30—H30A109.4
C20—N4—C21122.3 (3)C31—C30—H30B109.4
C20—N4—Nd193.2 (2)C29—C30—H30B109.4
C21—N4—Nd1141.9 (3)H30A—C30—H30B108.0
C20—N5—C27123.4 (3)C30—C31—C32111.2 (5)
C20—N5—Nd196.2 (2)C30—C31—H31A109.4
C27—N5—Nd1138.8 (2)C32—C31—H31A109.4
C20—N6—Si3117.8 (3)C30—C31—H31B109.4
C20—N6—Si4118.4 (3)C32—C31—H31B109.4
Si3—N6—Si4123.82 (19)H31A—C31—H31B108.0
N2—C1—N1113.9 (3)C31—C32—C27111.4 (4)
N2—C1—N3122.9 (4)C31—C32—H32A109.3
N1—C1—N3123.2 (3)C27—C32—H32A109.3
N2—C1—Nd156.0 (2)C31—C32—H32B109.3
N1—C1—Nd158.5 (2)C27—C32—H32B109.3
N3—C1—Nd1172.3 (3)H32A—C32—H32B108.0
N1—C2—C3110.9 (3)Si3—C33—H33A109.5
N1—C2—C7110.1 (3)Si3—C33—H33B109.5
C3—C2—C7109.5 (3)H33A—C33—H33B109.5
N1—C2—H2108.8Si3—C33—H33C109.5
C3—C2—H2108.8H33A—C33—H33C109.5
C7—C2—H2108.8H33B—C33—H33C109.5
C2—C3—C4112.2 (3)Si3—C34—H34A109.5
C2—C3—H3A109.2Si3—C34—H34B109.5
C4—C3—H3A109.2H34A—C34—H34B109.5
C2—C3—H3B109.2Si3—C34—H34C109.5
C4—C3—H3B109.2H34A—C34—H34C109.5
H3A—C3—H3B107.9H34B—C34—H34C109.5
C5—C4—C3111.4 (4)Si3—C35—H35A109.5
C5—C4—H4A109.4Si3—C35—H35B109.5
C3—C4—H4A109.4H35A—C35—H35B109.5
C5—C4—H4B109.4Si3—C35—H35C109.5
C3—C4—H4B109.4H35A—C35—H35C109.5
H4A—C4—H4B108.0H35B—C35—H35C109.5
C4—C5—C6110.1 (4)Si4—C36—H36A109.5
C4—C5—H5A109.6Si4—C36—H36B109.5
C6—C5—H5A109.6H36A—C36—H36B109.5
C4—C5—H5B109.6Si4—C36—H36C109.5
C6—C5—H5B109.6H36A—C36—H36C109.5
H5A—C5—H5B108.1H36B—C36—H36C109.5
C5—C6—C7111.7 (4)Si4—C37—H37A109.5
C5—C6—H6A109.3Si4—C37—H37B109.5
C7—C6—H6A109.3H37A—C37—H37B109.5
C5—C6—H6B109.3Si4—C37—H37C109.5
C7—C6—H6B109.3H37A—C37—H37C109.5
H6A—C6—H6B107.9H37B—C37—H37C109.5
C6—C7—C2111.1 (4)Si4—C38—H38A109.5
C6—C7—H7A109.4Si4—C38—H38B109.5
C2—C7—H7A109.4H38A—C38—H38B109.5
C6—C7—H7B109.4Si4—C38—H38C109.5
C2—C7—H7B109.4H38A—C38—H38C109.5
H7A—C7—H7B108.0H38B—C38—H38C109.5
N2—C8—C13109.1 (4)O1—C39—C40108.2 (5)
N2—C8—C9111.2 (3)O1—C39—H39A110.1
C13—C8—C9108.8 (4)C40—C39—H39A110.1
N2—C8—H8109.2O1—C39—H39B110.1
C13—C8—H8109.2C40—C39—H39B110.1
C9—C8—H8109.2H39A—C39—H39B108.4
C10—C9—C8113.4 (4)C39—C40—C41104.0 (5)
C10—C9—H9A108.9C39—C40—H40A111.0
C8—C9—H9A108.9C41—C40—H40A111.0
C10—C9—H9B108.9C39—C40—H40B111.0
C8—C9—H9B108.9C41—C40—H40B111.0
H9A—C9—H9B107.7H40A—C40—H40B109.0
C11—C10—C9110.9 (5)C40—C41—C42103.1 (6)
C11—C10—H10A109.5C40—C41—H41A111.1
C9—C10—H10A109.5C42—C41—H41A111.1
C11—C10—H10B109.5C40—C41—H41B111.1
C9—C10—H10B109.5C42—C41—H41B111.1
H10A—C10—H10B108.0H41A—C41—H41B109.1
C10—C11—C12111.4 (5)O1—C42—C41104.4 (5)
C10—C11—H11A109.3O1—C42—H42A110.9
C12—C11—H11A109.3C41—C42—H42A110.9
C10—C11—H11B109.3O1—C42—H42B110.9
C12—C11—H11B109.3C41—C42—H42B110.9
H11A—C11—H11B108.0H42A—C42—H42B108.9
C11—C12—C13111.4 (5)O2—C43—C44105.7 (5)
C11—C12—H12A109.4O2—C43—H43A110.6
C13—C12—H12A109.4C44—C43—H43A110.6
C11—C12—H12B109.4O2—C43—H43B110.6
C13—C12—H12B109.4C44—C43—H43B110.6
H12A—C12—H12B108.0H43A—C43—H43B108.7
C8—C13—C12111.3 (5)C43—C44—C45106.9 (5)
C8—C13—H13A109.4C43—C44—H44A110.3
C12—C13—H13A109.4C45—C44—H44A110.3
C8—C13—H13B109.4C43—C44—H44B110.3
C12—C13—H13B109.4C45—C44—H44B110.3
H13A—C13—H13B108.0H44A—C44—H44B108.6
Si1—C14—H14A109.5C46—C45—C44104.9 (5)
Si1—C14—H14B109.5C46—C45—H45A110.8
H14A—C14—H14B109.5C44—C45—H45A110.8
Si1—C14—H14C109.5C46—C45—H45B110.8
H14A—C14—H14C109.5C44—C45—H45B110.8
H14B—C14—H14C109.5H45A—C45—H45B108.8
Si1—C15—H15A109.5O2—C46—C45106.7 (5)
Si1—C15—H15B109.5O2—C46—H46A110.4
H15A—C15—H15B109.5C45—C46—H46A110.4
Si1—C15—H15C109.5O2—C46—H46B110.4
H15A—C15—H15C109.5C45—C46—H46B110.4
H15B—C15—H15C109.5H46A—C46—H46B108.6
Si1—C16—H16A109.5O1—Li1—O2100.0 (4)
Si1—C16—H16B109.5O1—Li1—Cl2113.7 (3)
H16A—C16—H16B109.5O2—Li1—Cl2107.6 (3)
Si1—C16—H16C109.5O1—Li1—Cl1122.5 (4)
H16A—C16—H16C109.5O2—Li1—Cl1111.4 (4)
H16B—C16—H16C109.5Cl2—Li1—Cl1101.1 (3)
Si2—C17—H17A109.5O1—Li1—Nd1143.1 (3)
Si2—C17—H17B109.5O2—Li1—Nd1116.3 (4)
H17A—C17—H17B109.5Cl2—Li1—Nd150.82 (16)
Si2—C17—H17C109.5Cl1—Li1—Nd150.70 (16)
N2—Nd1—Cl1—Li1151.9 (2)Nd1—N2—C8—C13−35.5 (6)
N5—Nd1—Cl1—Li1−88.7 (2)C1—N2—C8—C9−101.0 (5)
N1—Nd1—Cl1—Li196.4 (2)Nd1—N2—C8—C984.5 (5)
N4—Nd1—Cl1—Li1−100.8 (2)N2—C8—C9—C10−175.9 (4)
Cl2—Nd1—Cl1—Li15.87 (19)C13—C8—C9—C10−55.7 (6)
C1—Nd1—Cl1—Li1124.2 (2)C8—C9—C10—C1155.5 (7)
C20—Nd1—Cl1—Li1−92.7 (2)C9—C10—C11—C12−54.2 (7)
N2—Nd1—Cl2—Li1−100.8 (2)C10—C11—C12—C1355.4 (7)
N5—Nd1—Cl2—Li1141.3 (2)N2—C8—C13—C12176.9 (4)
N1—Nd1—Cl2—Li1−106.6 (2)C9—C8—C13—C1255.5 (6)
N4—Nd1—Cl2—Li185.7 (2)C11—C12—C13—C8−56.7 (7)
Cl1—Nd1—Cl2—Li1−5.87 (19)C27—N5—C20—N4179.6 (4)
C1—Nd1—Cl2—Li1−101.8 (2)Nd1—N5—C20—N4−12.1 (4)
C20—Nd1—Cl2—Li1113.6 (2)C27—N5—C20—N6−1.2 (6)
N2—Nd1—N1—C1−5.2 (2)Nd1—N5—C20—N6167.1 (3)
N5—Nd1—N1—C1−87.9 (2)C27—N5—C20—Nd1−168.3 (4)
N4—Nd1—N1—C1−40.9 (4)C21—N4—C20—N5177.3 (4)
Cl1—Nd1—N1—C189.2 (2)Nd1—N4—C20—N511.8 (4)
Cl2—Nd1—N1—C1170.9 (2)C21—N4—C20—N6−1.9 (6)
C20—Nd1—N1—C1−79.0 (3)Nd1—N4—C20—N6−167.4 (3)
Li1—Nd1—N1—C1131.0 (2)C21—N4—C20—Nd1165.5 (4)
N2—Nd1—N1—C2−164.8 (4)Si3—N6—C20—N596.4 (4)
N5—Nd1—N1—C2112.5 (4)Si4—N6—C20—N5−84.4 (5)
N4—Nd1—N1—C2159.5 (3)Si3—N6—C20—N4−84.5 (5)
Cl1—Nd1—N1—C2−70.4 (4)Si4—N6—C20—N494.8 (4)
Cl2—Nd1—N1—C211.3 (4)Si3—N6—C20—Nd1179 (100)
C1—Nd1—N1—C2−159.6 (5)Si4—N6—C20—Nd1−2.0 (16)
C20—Nd1—N1—C2121.3 (4)N2—Nd1—C20—N5−72.6 (3)
Li1—Nd1—N1—C2−28.7 (4)N1—Nd1—C20—N5−18.1 (3)
N5—Nd1—N2—C1116.8 (2)N4—Nd1—C20—N5−167.2 (4)
N1—Nd1—N2—C15.2 (2)Cl1—Nd1—C20—N5175.3 (2)
N4—Nd1—N2—C1171.7 (2)Cl2—Nd1—C20—N588.4 (2)
Cl1—Nd1—N2—C1−91.2 (2)C1—Nd1—C20—N5−52.4 (3)
Cl2—Nd1—N2—C1−1.9 (3)Li1—Nd1—C20—N5129.5 (3)
C20—Nd1—N2—C1142.9 (2)N2—Nd1—C20—N494.6 (3)
Li1—Nd1—N2—C1−65.7 (3)N5—Nd1—C20—N4167.2 (4)
N5—Nd1—N2—C8−67.8 (4)N1—Nd1—C20—N4149.0 (2)
N1—Nd1—N2—C8−179.4 (5)Cl1—Nd1—C20—N4−17.6 (3)
N4—Nd1—N2—C8−13.0 (4)Cl2—Nd1—C20—N4−104.4 (2)
Cl1—Nd1—N2—C884.1 (4)C1—Nd1—C20—N4114.7 (3)
Cl2—Nd1—N2—C8173.4 (3)Li1—Nd1—C20—N4−63.3 (3)
C1—Nd1—N2—C8175.4 (6)N2—Nd1—C20—N6−162.1 (15)
C20—Nd1—N2—C8−41.7 (4)N5—Nd1—C20—N6−89.5 (15)
Li1—Nd1—N2—C8109.7 (4)N1—Nd1—C20—N6−107.6 (15)
C16—Si1—N3—C18.7 (4)N4—Nd1—C20—N6103.4 (15)
C14—Si1—N3—C1128.6 (3)Cl1—Nd1—C20—N685.8 (15)
C15—Si1—N3—C1−112.1 (3)Cl2—Nd1—C20—N6−1.0 (15)
C16—Si1—N3—Si2−172.2 (3)C1—Nd1—C20—N6−141.9 (14)
C14—Si1—N3—Si2−52.4 (3)Li1—Nd1—C20—N640.0 (15)
C15—Si1—N3—Si267.0 (3)C20—N4—C21—C22−103.6 (5)
C17—Si2—N3—C16.7 (4)Nd1—N4—C21—C2252.6 (6)
C19—Si2—N3—C1127.3 (3)C20—N4—C21—C26134.8 (4)
C18—Si2—N3—C1−113.9 (4)Nd1—N4—C21—C26−69.1 (6)
C17—Si2—N3—Si1−172.3 (3)N4—C21—C22—C23178.9 (4)
C19—Si2—N3—Si1−51.7 (3)C26—C21—C22—C23−59.2 (5)
C18—Si2—N3—Si167.1 (3)C21—C22—C23—C2457.8 (6)
N2—Nd1—N4—C20−93.6 (3)C22—C23—C24—C25−54.8 (7)
N5—Nd1—N4—C20−7.2 (2)C23—C24—C25—C2654.8 (7)
N1—Nd1—N4—C20−64.0 (4)N4—C21—C26—C25−178.9 (5)
Cl1—Nd1—N4—C20164.9 (2)C22—C21—C26—C2558.2 (6)
Cl2—Nd1—N4—C2082.7 (2)C24—C25—C26—C21−56.3 (7)
C1—Nd1—N4—C20−88.4 (3)C20—N5—C27—C32138.5 (4)
Li1—Nd1—N4—C20124.1 (3)Nd1—N5—C27—C32−23.6 (6)
N2—Nd1—N4—C21106.4 (4)C20—N5—C27—C28−100.7 (5)
N5—Nd1—N4—C21−167.2 (5)Nd1—N5—C27—C2897.2 (5)
N1—Nd1—N4—C21136.0 (4)N5—C27—C28—C29−177.9 (4)
Cl1—Nd1—N4—C214.9 (4)C32—C27—C28—C29−56.8 (5)
Cl2—Nd1—N4—C21−77.3 (4)C27—C28—C29—C3056.1 (6)
C1—Nd1—N4—C21111.6 (4)C28—C29—C30—C31−54.8 (6)
C20—Nd1—N4—C21−160.0 (6)C29—C30—C31—C3255.8 (7)
Li1—Nd1—N4—C21−35.9 (5)C30—C31—C32—C27−57.8 (6)
N2—Nd1—N5—C20112.7 (2)N5—C27—C32—C31179.7 (4)
N1—Nd1—N5—C20167.0 (2)C28—C27—C32—C3157.5 (5)
N4—Nd1—N5—C207.3 (2)C42—O1—C39—C404.4 (6)
Cl1—Nd1—N5—C20−7.6 (3)Li1—O1—C39—C40−140.5 (5)
Cl2—Nd1—N5—C20−96.8 (2)O1—C39—C40—C4118.1 (7)
C1—Nd1—N5—C20138.1 (2)C39—C40—C41—C42−32.3 (7)
Li1—Nd1—N5—C20−65.0 (3)C39—O1—C42—C41−24.7 (6)
N2—Nd1—N5—C27−82.2 (4)Li1—O1—C42—C41116.6 (5)
N1—Nd1—N5—C27−27.9 (4)C40—C41—C42—O135.4 (6)
N4—Nd1—N5—C27172.4 (5)C46—O2—C43—C4412.9 (8)
Cl1—Nd1—N5—C27157.5 (3)Li1—O2—C43—C44−156.6 (6)
Cl2—Nd1—N5—C2768.3 (4)O2—C43—C44—C45−22.0 (9)
C1—Nd1—N5—C27−56.8 (4)C43—C44—C45—C4622.8 (9)
C20—Nd1—N5—C27165.1 (6)C43—O2—C46—C451.4 (9)
Li1—Nd1—N5—C27100.1 (4)Li1—O2—C46—C45171.0 (5)
C34—Si3—N6—C20−115.2 (3)C44—C45—C46—O2−14.7 (9)
C33—Si3—N6—C205.3 (4)C42—O1—Li1—O2164.3 (4)
C35—Si3—N6—C20125.8 (3)C39—O1—Li1—O2−57.3 (5)
C34—Si3—N6—Si465.7 (3)C42—O1—Li1—Cl2−81.2 (5)
C33—Si3—N6—Si4−173.9 (3)C39—O1—Li1—Cl257.1 (5)
C35—Si3—N6—Si4−53.4 (3)C42—O1—Li1—Cl140.8 (6)
C38—Si4—N6—C2010.9 (4)C39—O1—Li1—Cl1179.1 (4)
C36—Si4—N6—C20133.0 (3)C42—O1—Li1—Nd1−25.6 (7)
C37—Si4—N6—C20−109.7 (3)C39—O1—Li1—Nd1112.8 (6)
C38—Si4—N6—Si3−169.9 (2)C46—O2—Li1—O1−69.5 (6)
C36—Si4—N6—Si3−47.8 (3)C43—O2—Li1—O198.6 (6)
C37—Si4—N6—Si369.4 (3)C46—O2—Li1—Cl2171.5 (5)
C8—N2—C1—N1175.0 (4)C43—O2—Li1—Cl2−20.4 (7)
Nd1—N2—C1—N1−8.6 (4)C46—O2—Li1—Cl161.5 (7)
C8—N2—C1—N3−5.5 (6)C43—O2—Li1—Cl1−130.4 (5)
Nd1—N2—C1—N3170.9 (3)C46—O2—Li1—Nd1117.1 (5)
C8—N2—C1—Nd1−176.4 (4)C43—O2—Li1—Nd1−74.8 (6)
C2—N1—C1—N2173.0 (3)Nd1—Cl2—Li1—O1140.2 (3)
Nd1—N1—C1—N28.4 (3)Nd1—Cl2—Li1—O2−109.9 (3)
C2—N1—C1—N3−6.5 (6)Nd1—Cl2—Li1—Cl17.0 (2)
Nd1—N1—C1—N3−171.1 (3)Nd1—Cl1—Li1—O1−134.7 (4)
C2—N1—C1—Nd1164.6 (4)Nd1—Cl1—Li1—O2107.1 (4)
Si1—N3—C1—N296.6 (4)Nd1—Cl1—Li1—Cl2−7.0 (2)
Si2—N3—C1—N2−82.5 (4)N2—Nd1—Li1—O153.4 (6)
Si1—N3—C1—N1−83.9 (4)N5—Nd1—Li1—O1−129.8 (5)
Si2—N3—C1—N197.0 (4)N1—Nd1—Li1—O11.5 (5)
N5—Nd1—C1—N2−68.7 (2)N4—Nd1—Li1—O1178.3 (5)
N1—Nd1—C1—N2−170.8 (4)Cl1—Nd1—Li1—O193.9 (5)
N4—Nd1—C1—N2−11.0 (3)Cl2—Nd1—Li1—O1−77.2 (5)
Cl1—Nd1—C1—N293.5 (2)C1—Nd1—Li1—O124.9 (6)
Cl2—Nd1—C1—N2178.8 (2)C20—Nd1—Li1—O1−156.9 (5)
C20—Nd1—C1—N2−46.3 (3)N2—Nd1—Li1—O2−137.5 (3)
Li1—Nd1—C1—N2131.7 (2)N5—Nd1—Li1—O239.3 (4)
N2—Nd1—C1—N1170.8 (4)N1—Nd1—Li1—O2170.6 (3)
N5—Nd1—C1—N1102.1 (2)N4—Nd1—Li1—O2−12.6 (3)
N4—Nd1—C1—N1159.8 (2)Cl1—Nd1—Li1—O2−97.0 (3)
Cl1—Nd1—C1—N1−95.8 (2)Cl2—Nd1—Li1—O291.9 (3)
Cl2—Nd1—C1—N1−10.4 (3)C1—Nd1—Li1—O2−166.0 (3)
C20—Nd1—C1—N1124.5 (2)C20—Nd1—Li1—O212.2 (3)
Li1—Nd1—C1—N1−57.5 (3)N2—Nd1—Li1—Cl2130.66 (15)
C1—N1—C2—C3−102.9 (4)N5—Nd1—Li1—Cl2−52.6 (2)
Nd1—N1—C2—C352.7 (5)N1—Nd1—Li1—Cl278.71 (17)
C1—N1—C2—C7135.7 (4)N4—Nd1—Li1—Cl2−104.48 (16)
Nd1—N1—C2—C7−68.7 (5)Cl1—Nd1—Li1—Cl2171.1 (3)
N1—C2—C3—C4−177.4 (3)C1—Nd1—Li1—Cl2102.13 (17)
C7—C2—C3—C4−55.7 (5)C20—Nd1—Li1—Cl2−79.65 (18)
C2—C3—C4—C556.1 (5)N2—Nd1—Li1—Cl1−40.4 (3)
C3—C4—C5—C6−55.0 (5)N5—Nd1—Li1—Cl1136.34 (14)
C4—C5—C6—C756.2 (5)N1—Nd1—Li1—Cl1−92.40 (17)
C5—C6—C7—C2−57.4 (5)N4—Nd1—Li1—Cl184.41 (17)
N1—C2—C7—C6178.3 (4)Cl2—Nd1—Li1—Cl1−171.1 (3)
C3—C2—C7—C656.1 (5)C1—Nd1—Li1—Cl1−69.0 (2)
C1—N2—C8—C13139.0 (4)C20—Nd1—Li1—Cl1109.24 (16)
Selected bond lengths (Å) top
Li1—Cl12.336 (7)Nd1—Cl22.7667 (11)
Li1—Cl22.335 (7)Nd1—N12.462 (3)
Li1—O11.907 (9)Nd1—N22.405 (3)
Li1—O21.951 (8)Nd1—N42.481 (3)
Nd1—Cl12.7621 (11)Nd1—N52.419 (3)
Acknowledgements top

The authors thank Yong Zhang of Suzhou University for the data collection.

references
References top

Jacobson, R. (1998). REQAB. Private communication to the Rigaku Corporation, Tokyo, Japan.

Luo, Y. J., Yao, Y. M., Shen, Q., Yu, K. B. & Weng, L. H. (2003). Eur. J. Inorg. Chem. pp. 318–323.

Rigaku (2000). CrystalClear and CrystalStructure. Rigaku Corporation, Tokyo, Japan.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Trifonov, A. A. (2010). Coord. Chem. Rev. 254, 1327–1347.