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The title compound, tetra-μ3-tert-butoxy-tetra-μ4-tert-butoxy-tetralithiumtetrasodium, [Li4Na4(C4H9O)8], has been obtained in a second, triclinic, modification, with three crystallographically independent mol­ecules in the asymmetric unit. All three mol­ecules, as well as the two independent mol­ecules of a previously reported monoclinic polymorph, have essentially the same structure, in which the tert-butoxy ligands are either triply or quadruply bridging, Li+ cations have trigonal pyramidal coordination, and Na+ cations have irregular fourfold coordination. The mol­ecules have no crystallographic symmetry, but approximate to \overline 42m (D2d) symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803001193/bt6229sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803001193/bt6229Isup2.hkl
Contains datablock I

CCDC reference: 204657

Key indicators

  • Single-crystal X-ray study
  • T = 160 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.036
  • wR factor = 0.094
  • Data-to-parameter ratio = 16.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Amber Alert Alert Level B:
CRYSS_02 Alert B The value of _exptl_crystal_size_min is > 0.6 Minimum crystal size given = 0.800
Author response: Crystals are difficult to handle and prone to damage on cutting, leading to poorer diffraction. Also, intensities are generally weak, so a larger crystal is preferred. Excellent R~int~ and final R values show there is no problem resulting from the crystal size.

Yellow Alert Alert Level C:
REFLT_03 From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _reflns_number_total 22410 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 23943 Completeness (_total/calc) 93.60% Alert C: < 95% complete PLAT_601 Alert C Structure Contains Solvent Accessible VOIDS of 50.00 A   3
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
2 Alert Level C = Please check

Comment top

We recently reported the structures of the complete series of compounds [Li4M4(tBuO)8], where M is Na, K, Rb and Cs (Clegg et al., 1999; Armstrong et al., 2000). Despite the differences in atomic size of the four heavier alkali metals, all the compounds have the same basic molecular structure, which is a tetramer with a `breastplate-like' appearance, having a planar and essentially square arrangement of four M+ ions sandwiched between two {(tBuO)4Li2}2− dianions, the overall molecular symmetry being 42m (D2 d). This common structure for all the compounds contrasts with the variety found for the homometallic tert-butoxides: those of K, Rb and Cs are tetrameric (Weiss et al., 1967, 1968; Chisholm et al., 1991; Mann & Jansen, 1994), the Li compound is hexameric (Thomas et al., 1998), and the Na compound is both hexameric and nonameric in the same crystal structure (Davies et al., 1982); none of them has an octanuclear structure. There appears to be no precedent for a complete set of homologous alkali metal complexes with the same molecular architecture, and these compounds are unusual in metal alkoxide chemistry generally (Bradley et al., 2001).

During experiments to confirm the reproducibility of the syntheses of these compounds, preparation of the mixed lithium–sodium complex by essentially the same route as previously reported led to crystals with a noticeably different habit. Preliminary X-ray diffraction indicated a different unit cell, and so we determined the crystal structure in full. The result is a second polymorphic modification of the compound. Like the previously reported form, it is unsolvated. This structure is triclinic, with three molecules in the asymmetric unit, whereas the other is monoclinic, with two molecules in the asymmetric unit. One molecule of the triclinic form is shown in Fig. 1, with generic atom labels; atoms of the three independent molecules are identified by a suffix A, B or C. Bond distances for the metal ions are given in Table 1.

There are no chemically significant differences among the three crystallographically independent molecules of this triclinic polymorph, or indeed within the whole set of molecules of both polymorphs. In each case, Li+ cations are coordinated by three tert-butoxy ligands in a trigonal pyramidal arrangement, and Na+ cations have a highly distorted fourfold coordination geometry. Half the ligands are triply bridging (to one Li+ and two Na+) and half are quadruply bridging (to two Li+ and two Na+). Li—O bond lengths range from 1.824 (3) to 1.913 (3) Å, while Na—O bond lengths cover the rather wider range 2.2704 (13)–2.6030 (15) Å, each Na+ ion having two shorter and two longer bonds, to µ3– and µ4-O atoms, respectively. In the homometallic tert-butoxy oligomers, all ligands are triply bridging. Further details of the molecular structures, together with theoretical calculations for comparison, are discussed by Armstrong et al. (2000).

There are no significant intermolecular interactions. The molecules are effectively covered by a sheath of H atoms and are essentially close packed (Fig. 2).

Experimental top

The compound was prepared as described by Armstrong et al. (2000), but essentially the same procedure and conditions on this occasion produced a different polymorph.

Refinement top

H atoms were placed geometrically and refined with a riding model (including free rotation about C—C bonds), and with Uiso = 1.5Ueq(C).

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: local programs; data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

Figures top
[Figure 1] Fig. 1. The structure of molecule A, with generic atom labels and 50% probability ellipsoids. H atoms have been omitted. Partially obscured atoms C19 and C20 are not labelled.
[Figure 2] Fig. 2. The six molecules (three inversion-related pairs) in the unit cell.
tetra-µ3-tert-butoxy-tetra-µ4-tert-butoxy-tetralithiumtetrasodium top
Crystal data top
[Li4Na4(C4H9O)8]Z = 6
Mr = 704.62F(000) = 2304
Triclinic, P1Dx = 1.033 Mg m3
a = 11.1917 (8) ÅMo Kα radiation, λ = 0.71073 Å
b = 21.0007 (14) ÅCell parameters from 28018 reflections
c = 29.450 (2) Åθ = 2.3–28.1°
α = 82.560 (2)°µ = 0.10 mm1
β = 89.492 (2)°T = 160 K
γ = 82.033 (2)°Block, colourless
V = 6796.8 (8) Å30.82 × 0.80 × 0.80 mm
Data collection top
Bruker SMART 1K CCD
diffractometer
22410 independent reflections
Radiation source: fine-focus sealed tube15221 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
Detector resolution: 8.192 pixels mm-1θmax = 25.0°, θmin = 1.1°
fine–slice ω scansh = 1312
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
k = 2424
Tmin = 0.890, Tmax = 0.950l = 3335
32571 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.094 w = 1/[σ2(Fo2) + (0.0515P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.92(Δ/σ)max = 0.001
22410 reflectionsΔρmax = 0.18 e Å3
1370 parametersΔρmin = 0.20 e Å3
0 restraintsExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00064 (9)
Crystal data top
[Li4Na4(C4H9O)8]γ = 82.033 (2)°
Mr = 704.62V = 6796.8 (8) Å3
Triclinic, P1Z = 6
a = 11.1917 (8) ÅMo Kα radiation
b = 21.0007 (14) ŵ = 0.10 mm1
c = 29.450 (2) ÅT = 160 K
α = 82.560 (2)°0.82 × 0.80 × 0.80 mm
β = 89.492 (2)°
Data collection top
Bruker SMART 1K CCD
diffractometer
22410 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
15221 reflections with I > 2σ(I)
Tmin = 0.890, Tmax = 0.950Rint = 0.017
32571 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0360 restraints
wR(F2) = 0.094H-atom parameters constrained
S = 0.92Δρmax = 0.18 e Å3
22410 reflectionsΔρmin = 0.20 e Å3
1370 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Na1A0.27825 (6)0.12605 (3)0.52557 (2)0.02994 (16)
Na2A0.23625 (6)0.24545 (3)0.58710 (2)0.03054 (16)
Na3A0.19978 (6)0.34956 (3)0.49392 (2)0.03224 (17)
Na4A0.24200 (6)0.22987 (3)0.43183 (2)0.03152 (17)
Li1A0.4477 (3)0.20472 (14)0.54334 (10)0.0295 (7)
Li2A0.4207 (3)0.28172 (14)0.47338 (10)0.0291 (7)
Li3A0.0599 (3)0.18779 (14)0.48759 (10)0.0302 (7)
Li4A0.0278 (3)0.27742 (14)0.53302 (10)0.0309 (7)
O1A0.42512 (10)0.19082 (5)0.48179 (4)0.0262 (3)
O2A0.38870 (10)0.29510 (5)0.53487 (4)0.0277 (3)
O3A0.37756 (10)0.15261 (5)0.58784 (4)0.0289 (3)
O4A0.31420 (10)0.32844 (6)0.42977 (4)0.0320 (3)
O5A0.17017 (10)0.13412 (5)0.45810 (4)0.0285 (3)
O6A0.09590 (10)0.33488 (5)0.56307 (4)0.0299 (3)
O7A0.08608 (10)0.18852 (5)0.55103 (4)0.0266 (3)
O8A0.05403 (10)0.27809 (5)0.46928 (4)0.0278 (3)
C1A0.51260 (15)0.15081 (9)0.45959 (6)0.0300 (4)
C2A0.63592 (17)0.17272 (11)0.46397 (8)0.0533 (6)
H2A0.63310.21760.44950.080*
H2B0.69660.14460.44880.080*
H2C0.65720.17000.49640.080*
C3A0.51917 (18)0.08045 (9)0.48084 (7)0.0420 (5)
H3A0.53600.07710.51370.063*
H3B0.58380.05390.46630.063*
H3C0.44200.06510.47610.063*
C4A0.48060 (19)0.15483 (10)0.40865 (6)0.0459 (5)
H4A0.47790.19970.39410.069*
H4B0.40160.14060.40560.069*
H4C0.54190.12670.39380.069*
C5A0.45000 (16)0.33756 (9)0.55673 (6)0.0322 (4)
C6A0.58615 (17)0.31852 (12)0.55196 (8)0.0585 (6)
H6A0.60950.27400.56670.088*
H6B0.62920.34800.56670.088*
H6C0.60690.32140.51940.088*
C7A0.4137 (2)0.40772 (9)0.53517 (8)0.0580 (6)
H7A0.32670.42000.53870.087*
H7B0.43340.41180.50250.087*
H7C0.45760.43640.55040.087*
C8A0.41895 (18)0.33189 (10)0.60710 (6)0.0427 (5)
H8A0.44090.28690.62110.064*
H8B0.33210.34490.61050.064*
H8C0.46370.36020.62230.064*
C9A0.44492 (16)0.11032 (9)0.62220 (6)0.0311 (4)
C10A0.4341 (2)0.03970 (9)0.61722 (7)0.0500 (6)
H10A0.46120.03050.58670.075*
H10B0.34980.03250.62120.075*
H10C0.48440.01090.64060.075*
C11A0.4006 (2)0.12506 (11)0.66933 (6)0.0567 (6)
H11A0.41010.16980.67290.085*
H11B0.44780.09530.69310.085*
H11C0.31520.11950.67230.085*
C12A0.57846 (17)0.11849 (10)0.61831 (7)0.0467 (5)
H12A0.58810.16330.62160.070*
H12B0.60830.10840.58830.070*
H12C0.62450.08900.64250.070*
C13A0.35801 (17)0.37006 (9)0.39437 (6)0.0364 (5)
C14A0.3199 (2)0.35409 (12)0.34793 (7)0.0627 (7)
H14A0.34950.30860.34520.094*
H14B0.35420.38210.32340.094*
H14C0.23170.36140.34540.094*
C15A0.3088 (2)0.44069 (10)0.39872 (7)0.0542 (6)
H15A0.33170.45110.42870.081*
H15B0.22070.44700.39580.081*
H15C0.34260.46930.37450.081*
C16A0.49611 (18)0.36204 (11)0.39680 (8)0.0572 (6)
H16A0.52880.31680.39450.086*
H16B0.52150.37390.42600.086*
H16C0.52640.39030.37140.086*
C17A0.12795 (15)0.08548 (8)0.43669 (6)0.0301 (4)
C18A0.19008 (18)0.01871 (9)0.45761 (8)0.0491 (6)
H18A0.17610.01290.49070.074*
H18B0.27700.01550.45190.074*
H18C0.15690.01500.44370.074*
C19A0.15345 (19)0.09469 (11)0.38553 (7)0.0509 (6)
H19A0.11530.13770.37200.076*
H19B0.12070.06130.37100.076*
H19C0.24080.09100.38070.076*
C20A0.00817 (16)0.08851 (9)0.44333 (7)0.0381 (5)
H20A0.04850.13130.43030.057*
H20B0.02570.08110.47610.057*
H20C0.03770.05500.42790.057*
C21A0.02498 (16)0.38064 (9)0.58616 (6)0.0333 (4)
C22A0.0429 (2)0.44860 (10)0.56554 (9)0.0767 (8)
H22A0.02060.45520.53300.115*
H22B0.12780.45420.56880.115*
H22C0.00800.48030.58150.115*
C23A0.0585 (2)0.37104 (12)0.63675 (7)0.0621 (7)
H23A0.04890.32680.65010.093*
H23B0.00570.40220.65250.093*
H23C0.14260.37790.64020.093*
C24A0.10906 (18)0.37363 (11)0.58222 (8)0.0591 (6)
H24A0.12200.32990.59560.089*
H24B0.13350.38080.54990.089*
H24C0.15740.40570.59870.089*
C25A0.02105 (15)0.15338 (8)0.58463 (6)0.0293 (4)
C26A0.11301 (17)0.16425 (11)0.57124 (8)0.0521 (6)
H26A0.12290.14850.54180.078*
H26B0.14350.21060.56860.078*
H26C0.15840.14050.59480.078*
C27A0.0352 (2)0.17601 (10)0.63121 (6)0.0462 (5)
H27A0.12010.16680.64080.069*
H27B0.01390.15300.65380.069*
H27C0.00840.22280.62900.069*
C28A0.06718 (18)0.08103 (9)0.58835 (7)0.0414 (5)
H28A0.15240.07340.59760.062*
H28B0.05870.06590.55860.062*
H28C0.02010.05720.61120.062*
C29A0.03236 (16)0.31146 (9)0.43645 (6)0.0321 (4)
C30A0.15738 (18)0.29664 (12)0.45097 (9)0.0663 (7)
H30A0.17740.31250.48040.099*
H30B0.15850.24970.45420.099*
H30C0.21680.31820.42770.099*
C31A0.0296 (2)0.38421 (9)0.43261 (7)0.0517 (6)
H31A0.04700.39890.46250.078*
H31B0.09050.40670.41020.078*
H31C0.05050.39380.42260.078*
C32A0.0041 (2)0.28955 (11)0.38956 (7)0.0578 (6)
H32A0.00030.24230.39200.087*
H32B0.07330.30230.37890.087*
H32C0.06800.31000.36770.087*
Na1B0.00865 (6)0.12145 (4)0.24046 (2)0.04150 (19)
Na2B0.14025 (6)0.17822 (3)0.14684 (2)0.03725 (18)
Na3B0.10471 (6)0.17667 (3)0.08822 (2)0.03262 (17)
Na4B0.23747 (6)0.12154 (3)0.18133 (2)0.03135 (17)
Li1B0.0784 (3)0.04832 (14)0.12890 (10)0.0328 (7)
Li2B0.1042 (3)0.04957 (15)0.17178 (10)0.0344 (7)
Li3B0.1596 (3)0.22961 (15)0.21131 (10)0.0361 (7)
Li4B0.0622 (3)0.27144 (15)0.14189 (10)0.0353 (7)
O1B0.05381 (10)0.03884 (6)0.19296 (4)0.0321 (3)
O2B0.06214 (10)0.08634 (6)0.11086 (4)0.0298 (3)
O3B0.18955 (10)0.09469 (6)0.20598 (4)0.0374 (3)
O4B0.22261 (10)0.09307 (6)0.10757 (4)0.0314 (3)
O5B0.19235 (11)0.15898 (6)0.25008 (4)0.0354 (3)
O6B0.02971 (11)0.25200 (6)0.09264 (4)0.0347 (3)
O7B0.00447 (11)0.23987 (6)0.20064 (4)0.0364 (3)
O8B0.20859 (10)0.23396 (5)0.14901 (4)0.0300 (3)
C1B0.07833 (19)0.01830 (10)0.22023 (7)0.0453 (5)
C2B0.0286 (2)0.07708 (10)0.19672 (9)0.0694 (7)
H2D0.07060.07500.16740.104*
H2E0.04130.11690.21640.104*
H2F0.05790.07700.19130.104*
C3B0.0176 (2)0.02411 (13)0.26710 (8)0.0769 (8)
H3D0.05310.01180.28330.115*
H3E0.06900.02250.26310.115*
H3F0.02980.06540.28500.115*
C4B0.2144 (2)0.01698 (11)0.22624 (9)0.0693 (7)
H4D0.24610.01910.24300.104*
H4E0.23070.05790.24350.104*
H4F0.25370.01120.19610.104*
C5B0.13034 (16)0.06861 (9)0.07273 (6)0.0342 (4)
C6B0.1583 (2)0.00502 (10)0.07635 (8)0.0567 (6)
H6D0.08270.02360.07640.085*
H6E0.20300.02180.10480.085*
H6F0.20710.01700.05020.085*
C7B0.05991 (19)0.09397 (11)0.02823 (6)0.0513 (6)
H7D0.04410.14140.02500.077*
H7E0.01680.07640.02900.077*
H7F0.10740.08030.00220.077*
C8B0.24854 (17)0.09768 (11)0.07070 (7)0.0500 (6)
H8D0.23080.14510.06680.075*
H8E0.29640.08380.04480.075*
H8F0.29420.08280.09920.075*
C9B0.30542 (17)0.06687 (10)0.22165 (7)0.0430 (5)
C10B0.3115 (2)0.05923 (15)0.27388 (8)0.0804 (9)
H10D0.25250.03150.28650.121*
H10E0.29320.10190.28430.121*
H10F0.39270.03940.28430.121*
C11B0.39776 (18)0.11024 (11)0.20215 (8)0.0582 (6)
H11D0.39260.11630.16860.087*
H11E0.47910.08970.21190.087*
H11F0.38070.15250.21340.087*
C12B0.3388 (2)0.00038 (11)0.20504 (9)0.0645 (7)
H12D0.28070.02840.21690.097*
H12E0.42000.01850.21610.097*
H12F0.33720.00560.17150.097*
C13B0.29259 (16)0.06235 (10)0.07999 (7)0.0392 (5)
C14B0.41629 (19)0.05794 (14)0.10060 (10)0.0831 (9)
H14D0.45890.10170.10180.125*
H14E0.40740.03450.13170.125*
H14F0.46250.03470.08170.125*
C15B0.3064 (2)0.10065 (13)0.03238 (8)0.0811 (9)
H15D0.22650.10340.01900.122*
H15E0.34770.14440.03450.122*
H15F0.35390.07880.01300.122*
C16B0.23146 (19)0.00612 (10)0.07549 (8)0.0555 (6)
H16D0.15130.00410.06220.083*
H16E0.28040.02640.05560.083*
H16F0.22340.03180.10580.083*
C17B0.25939 (17)0.16482 (11)0.29043 (6)0.0415 (5)
C18B0.2838 (3)0.23578 (14)0.29815 (10)0.0899 (10)
H18D0.33370.26060.27290.135*
H18E0.20710.25310.29930.135*
H18F0.32640.23930.32710.135*
C19B0.1902 (2)0.12628 (17)0.33107 (7)0.0934 (11)
H19D0.11120.14100.33310.140*
H19E0.17890.08020.32730.140*
H19F0.23540.13270.35910.140*
C20B0.3791 (2)0.14055 (14)0.28630 (7)0.0715 (8)
H20D0.42240.16400.25900.107*
H20E0.42730.14780.31360.107*
H20F0.36540.09410.28360.107*
C21B0.06853 (18)0.30185 (9)0.06205 (6)0.0389 (5)
C22B0.0347 (2)0.29517 (12)0.01315 (7)0.0679 (7)
H22D0.05260.29510.01090.102*
H22E0.07690.25440.00460.102*
H22F0.05790.33170.00760.102*
C23B0.20601 (19)0.29939 (11)0.06531 (8)0.0562 (6)
H23D0.22860.30500.09650.084*
H23E0.23170.33420.04360.084*
H23F0.24550.25740.05800.084*
C24B0.0089 (2)0.36802 (10)0.07358 (9)0.0654 (7)
H24D0.07900.37050.07140.098*
H24E0.03590.40250.05190.098*
H24F0.03170.37330.10480.098*
C25B0.06754 (18)0.27632 (10)0.22750 (7)0.0424 (5)
C26B0.0988 (2)0.23734 (12)0.27413 (7)0.0638 (7)
H26D0.15130.19710.27010.096*
H26E0.02460.22700.28950.096*
H26F0.14080.26290.29280.096*
C27B0.0105 (2)0.33986 (12)0.23315 (9)0.0759 (8)
H27D0.02890.36490.20300.114*
H27E0.03290.36480.25180.114*
H27F0.08570.33100.24830.114*
C28B0.18488 (19)0.29091 (12)0.20412 (8)0.0600 (7)
H28D0.23550.25010.20000.090*
H28E0.22800.31540.22320.090*
H28F0.16640.31650.17420.090*
C29B0.32008 (17)0.27085 (9)0.13333 (6)0.0359 (5)
C30B0.42457 (17)0.23410 (11)0.14828 (8)0.0538 (6)
H30D0.42620.22610.18180.081*
H30E0.41430.19260.13590.081*
H30F0.50060.25990.13680.081*
C31B0.3351 (2)0.33415 (11)0.15402 (10)0.0748 (8)
H31D0.33620.32480.18750.112*
H31E0.41110.36050.14310.112*
H31F0.26760.35800.14480.112*
C32B0.3218 (2)0.28456 (13)0.08140 (7)0.0692 (7)
H32D0.25430.30780.07120.104*
H32E0.39800.31120.07110.104*
H32F0.31420.24350.06840.104*
Na1C0.53093 (6)0.36749 (3)0.75100 (2)0.03415 (17)
Na2C0.53576 (6)0.33844 (3)0.91121 (2)0.03200 (17)
Na3C0.50425 (6)0.46293 (3)0.83123 (2)0.03108 (17)
Na4C0.56458 (6)0.24296 (3)0.83135 (2)0.02946 (16)
Li1C0.3248 (3)0.39729 (14)0.80142 (10)0.0299 (7)
Li2C0.3481 (3)0.30543 (14)0.86172 (10)0.0301 (7)
Li3C0.7407 (3)0.31949 (14)0.80129 (10)0.0296 (7)
Li4C0.7223 (3)0.38860 (15)0.86155 (10)0.0316 (7)
O1C0.37459 (10)0.30814 (5)0.79798 (4)0.0271 (3)
O2C0.35151 (10)0.39472 (5)0.86558 (4)0.0267 (3)
O3C0.39797 (10)0.45642 (5)0.76361 (4)0.0298 (3)
O4C0.45345 (10)0.24726 (5)0.89833 (4)0.0298 (3)
O5C0.66358 (10)0.27477 (6)0.76361 (4)0.0283 (3)
O6C0.62053 (10)0.43354 (6)0.89876 (4)0.0314 (3)
O7C0.71967 (10)0.29793 (5)0.86510 (4)0.0258 (3)
O8C0.69110 (10)0.40991 (5)0.79765 (4)0.0284 (3)
C1C0.31129 (15)0.27032 (9)0.77280 (6)0.0300 (4)
C2C0.17769 (17)0.28002 (11)0.78600 (8)0.0571 (6)
H2G0.14480.32600.77900.086*
H2H0.17000.26610.81880.086*
H2I0.13300.25420.76860.086*
C3C0.32294 (19)0.29108 (10)0.72180 (6)0.0454 (5)
H3G0.29140.33720.71460.068*
H3H0.27690.26550.70470.068*
H3I0.40810.28400.71320.068*
C4C0.36115 (18)0.19862 (9)0.78360 (7)0.0418 (5)
H4G0.44510.19160.77350.063*
H4H0.31280.17290.76750.063*
H4I0.35760.18530.81670.063*
C5C0.26451 (15)0.42966 (9)0.89155 (6)0.0301 (4)
C6C0.13912 (17)0.41542 (12)0.87979 (8)0.0604 (7)
H6G0.12430.42670.84680.091*
H6H0.07830.44120.89650.091*
H6I0.13430.36920.88850.091*
C7C0.2688 (2)0.50197 (9)0.88069 (7)0.0515 (6)
H7G0.25630.51520.84770.077*
H7H0.34770.51170.88980.077*
H7I0.20520.52570.89760.077*
C8C0.28855 (19)0.40976 (11)0.94251 (6)0.0493 (6)
H8G0.36810.41990.95040.074*
H8H0.28670.36310.95000.074*
H8I0.22640.43350.96000.074*
C9C0.33197 (16)0.50041 (9)0.72992 (6)0.0311 (4)
C10C0.36993 (19)0.48453 (10)0.68206 (6)0.0463 (5)
H10G0.45540.48880.67760.069*
H10H0.32130.51460.65890.069*
H10I0.35730.44000.67910.069*
C11C0.3535 (2)0.56948 (9)0.73409 (7)0.0518 (6)
H11G0.43890.57340.72880.078*
H11H0.33140.57970.76490.078*
H11I0.30390.59970.71130.078*
C12C0.19679 (17)0.49620 (11)0.73511 (7)0.0499 (6)
H12G0.17030.50730.76520.075*
H12H0.18200.45200.73220.075*
H12I0.15170.52660.71110.075*
C13C0.41264 (16)0.20034 (9)0.93113 (6)0.0336 (4)
C14C0.48028 (19)0.13345 (9)0.92656 (7)0.0466 (5)
H14G0.46560.12220.89600.070*
H14H0.45180.10140.94980.070*
H14I0.56690.13370.93090.070*
C15C0.43236 (18)0.21696 (10)0.97928 (6)0.0450 (5)
H15G0.51820.21910.98400.068*
H15H0.40610.18341.00200.068*
H15I0.38540.25900.98280.068*
C16C0.27636 (17)0.19932 (11)0.92430 (7)0.0517 (6)
H16G0.26220.18700.89400.078*
H16H0.23240.24250.92650.078*
H16I0.24800.16780.94800.078*
C17C0.73400 (15)0.24135 (9)0.73208 (6)0.0295 (4)
C18C0.71948 (18)0.16942 (9)0.73969 (7)0.0449 (5)
H18G0.63500.16460.73470.067*
H18H0.74360.15120.77110.067*
H18I0.77060.14640.71810.067*
C19C0.69537 (18)0.26920 (11)0.68314 (6)0.0465 (5)
H19G0.70410.31540.67800.070*
H19H0.61090.26400.67840.070*
H19I0.74630.24610.66160.070*
C20C0.86795 (15)0.24820 (10)0.73845 (6)0.0389 (5)
H20G0.87850.29410.73260.058*
H20H0.91690.22400.71690.058*
H20I0.89360.23090.76990.058*
C21C0.66517 (16)0.46796 (9)0.93136 (6)0.0342 (5)
C22C0.80242 (17)0.46526 (11)0.92646 (8)0.0547 (6)
H22G0.84050.41990.93080.082*
H22H0.83340.48850.94960.082*
H22I0.82100.48560.89590.082*
C23C0.6074 (2)0.53875 (9)0.92419 (7)0.0512 (6)
H23G0.62510.55830.89330.077*
H23H0.64020.56230.94680.077*
H23I0.51990.54110.92790.077*
C24C0.63802 (19)0.43766 (11)0.97982 (6)0.0489 (6)
H24G0.67620.39240.98470.073*
H24H0.55060.43940.98350.073*
H24I0.66990.46181.00220.073*
C25C0.80542 (15)0.25309 (8)0.89205 (6)0.0284 (4)
C26C0.80823 (19)0.18512 (9)0.87815 (7)0.0481 (5)
H26G0.82380.18660.84530.072*
H26H0.73030.16990.88500.072*
H26I0.87240.15540.89530.072*
C27C0.93056 (16)0.27388 (11)0.88503 (7)0.0507 (6)
H27G0.93000.31700.89440.076*
H27H0.95200.27520.85260.076*
H27I0.98990.24270.90360.076*
C28C0.77351 (18)0.25031 (10)0.94238 (6)0.0432 (5)
H28G0.77120.29350.95180.065*
H28H0.83450.21980.96060.065*
H28I0.69430.23580.94720.065*
C29C0.75500 (16)0.45559 (9)0.77207 (6)0.0332 (4)
C30C0.7394 (2)0.45327 (11)0.72084 (7)0.0520 (6)
H30G0.65390.46480.71240.078*
H30H0.76800.40940.71380.078*
H30I0.78620.48420.70350.078*
C31C0.88954 (17)0.43959 (12)0.78448 (8)0.0587 (6)
H31G0.90050.44090.81730.088*
H31H0.93400.47150.76700.088*
H31I0.92020.39620.77710.088*
C32C0.7084 (2)0.52409 (9)0.78242 (8)0.0523 (6)
H32G0.62390.53550.77260.078*
H32H0.75680.55490.76590.078*
H32I0.71460.52570.81540.078*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Na1A0.0307 (4)0.0313 (4)0.0286 (4)0.0059 (3)0.0027 (3)0.0050 (3)
Na2A0.0307 (4)0.0297 (4)0.0308 (4)0.0024 (3)0.0006 (3)0.0042 (3)
Na3A0.0325 (4)0.0321 (4)0.0321 (4)0.0065 (3)0.0032 (3)0.0019 (3)
Na4A0.0331 (4)0.0322 (4)0.0304 (4)0.0111 (3)0.0011 (3)0.0015 (3)
Li1A0.0289 (16)0.0302 (17)0.0291 (16)0.0030 (13)0.0013 (13)0.0036 (13)
Li2A0.0287 (16)0.0319 (17)0.0273 (16)0.0076 (13)0.0025 (13)0.0026 (13)
Li3A0.0288 (16)0.0295 (17)0.0334 (17)0.0089 (13)0.0001 (13)0.0034 (13)
Li4A0.0296 (17)0.0298 (17)0.0342 (17)0.0068 (13)0.0015 (13)0.0049 (14)
O1A0.0264 (7)0.0276 (7)0.0252 (6)0.0034 (5)0.0023 (5)0.0061 (5)
O2A0.0295 (7)0.0274 (7)0.0278 (7)0.0072 (5)0.0018 (5)0.0056 (5)
O3A0.0308 (7)0.0297 (7)0.0244 (6)0.0019 (6)0.0024 (5)0.0011 (5)
O4A0.0353 (7)0.0331 (7)0.0264 (7)0.0105 (6)0.0033 (5)0.0064 (6)
O5A0.0317 (7)0.0264 (7)0.0308 (7)0.0099 (5)0.0002 (5)0.0097 (5)
O6A0.0296 (7)0.0257 (7)0.0350 (7)0.0017 (5)0.0048 (5)0.0090 (6)
O7A0.0305 (7)0.0246 (7)0.0256 (6)0.0078 (5)0.0047 (5)0.0023 (5)
O8A0.0276 (7)0.0262 (7)0.0285 (7)0.0038 (5)0.0015 (5)0.0004 (5)
C1A0.0279 (10)0.0332 (11)0.0300 (10)0.0049 (8)0.0034 (8)0.0079 (8)
C2A0.0286 (12)0.0616 (15)0.0747 (16)0.0097 (10)0.0086 (11)0.0242 (13)
C3A0.0483 (13)0.0345 (12)0.0418 (12)0.0043 (10)0.0053 (10)0.0111 (10)
C4A0.0541 (14)0.0540 (14)0.0292 (11)0.0011 (11)0.0099 (10)0.0112 (10)
C5A0.0299 (10)0.0350 (11)0.0343 (11)0.0095 (9)0.0015 (8)0.0094 (9)
C6A0.0339 (12)0.0812 (18)0.0698 (16)0.0208 (12)0.0055 (11)0.0313 (14)
C7A0.0858 (18)0.0334 (13)0.0585 (15)0.0221 (12)0.0139 (13)0.0038 (11)
C8A0.0455 (12)0.0515 (13)0.0356 (11)0.0109 (10)0.0032 (9)0.0176 (10)
C9A0.0369 (11)0.0307 (11)0.0241 (10)0.0021 (9)0.0049 (8)0.0006 (8)
C10A0.0614 (15)0.0320 (12)0.0541 (14)0.0052 (11)0.0177 (11)0.0036 (10)
C11A0.0690 (16)0.0651 (16)0.0282 (12)0.0130 (13)0.0016 (11)0.0004 (11)
C12A0.0354 (12)0.0525 (14)0.0512 (13)0.0031 (10)0.0106 (10)0.0051 (11)
C13A0.0407 (12)0.0373 (12)0.0287 (10)0.0102 (9)0.0033 (9)0.0099 (9)
C14A0.0890 (19)0.0709 (17)0.0291 (12)0.0282 (14)0.0016 (12)0.0087 (11)
C15A0.0658 (16)0.0404 (13)0.0515 (14)0.0103 (11)0.0013 (12)0.0155 (11)
C16A0.0450 (14)0.0621 (16)0.0606 (15)0.0164 (12)0.0105 (11)0.0159 (12)
C17A0.0306 (10)0.0271 (10)0.0349 (11)0.0069 (8)0.0009 (8)0.0102 (8)
C18A0.0445 (13)0.0327 (12)0.0722 (15)0.0057 (10)0.0107 (11)0.0141 (11)
C19A0.0546 (14)0.0660 (15)0.0400 (12)0.0201 (12)0.0045 (10)0.0244 (11)
C20A0.0348 (11)0.0358 (11)0.0469 (12)0.0114 (9)0.0020 (9)0.0101 (10)
C21A0.0310 (11)0.0268 (11)0.0427 (12)0.0018 (8)0.0040 (9)0.0096 (9)
C22A0.094 (2)0.0308 (14)0.105 (2)0.0046 (13)0.0397 (17)0.0152 (14)
C23A0.0583 (15)0.0799 (18)0.0499 (14)0.0059 (13)0.0030 (11)0.0326 (13)
C24A0.0362 (13)0.0608 (16)0.0830 (18)0.0004 (11)0.0067 (12)0.0267 (13)
C25A0.0305 (10)0.0267 (10)0.0308 (10)0.0067 (8)0.0058 (8)0.0013 (8)
C26A0.0324 (12)0.0544 (14)0.0673 (15)0.0105 (10)0.0078 (11)0.0051 (12)
C27A0.0687 (15)0.0372 (12)0.0327 (11)0.0112 (11)0.0143 (10)0.0014 (9)
C28A0.0544 (13)0.0295 (11)0.0406 (12)0.0107 (10)0.0076 (10)0.0011 (9)
C29A0.0313 (11)0.0289 (11)0.0352 (11)0.0048 (8)0.0055 (8)0.0000 (8)
C30A0.0350 (13)0.0752 (18)0.0841 (18)0.0152 (12)0.0091 (12)0.0155 (14)
C31A0.0604 (15)0.0331 (12)0.0585 (14)0.0041 (11)0.0183 (11)0.0044 (10)
C32A0.0748 (17)0.0561 (15)0.0393 (13)0.0008 (13)0.0191 (11)0.0037 (11)
Na1B0.0327 (4)0.0584 (5)0.0332 (4)0.0062 (4)0.0016 (3)0.0057 (4)
Na2B0.0356 (4)0.0393 (4)0.0370 (4)0.0092 (3)0.0020 (3)0.0014 (3)
Na3B0.0376 (4)0.0317 (4)0.0297 (4)0.0089 (3)0.0021 (3)0.0041 (3)
Na4B0.0316 (4)0.0330 (4)0.0303 (4)0.0058 (3)0.0019 (3)0.0057 (3)
Li1B0.0293 (17)0.0314 (17)0.0381 (18)0.0041 (14)0.0018 (14)0.0065 (14)
Li2B0.0296 (17)0.0361 (18)0.0365 (18)0.0037 (14)0.0034 (14)0.0015 (14)
Li3B0.0384 (19)0.0387 (19)0.0339 (17)0.0090 (15)0.0065 (14)0.0111 (15)
Li4B0.0405 (19)0.0324 (18)0.0350 (18)0.0099 (15)0.0034 (14)0.0065 (14)
O1B0.0304 (7)0.0306 (7)0.0326 (7)0.0043 (6)0.0037 (6)0.0065 (6)
O2B0.0274 (7)0.0345 (7)0.0276 (7)0.0048 (6)0.0067 (5)0.0044 (6)
O3B0.0259 (7)0.0491 (8)0.0354 (7)0.0037 (6)0.0048 (6)0.0001 (6)
O4B0.0289 (7)0.0332 (7)0.0342 (7)0.0071 (6)0.0041 (5)0.0097 (6)
O5B0.0364 (7)0.0467 (8)0.0243 (7)0.0097 (6)0.0095 (6)0.0055 (6)
O6B0.0414 (8)0.0303 (7)0.0335 (7)0.0132 (6)0.0086 (6)0.0000 (6)
O7B0.0355 (7)0.0450 (8)0.0327 (7)0.0134 (6)0.0015 (6)0.0122 (6)
O8B0.0304 (7)0.0280 (7)0.0308 (7)0.0032 (6)0.0011 (5)0.0023 (5)
C1B0.0466 (13)0.0351 (12)0.0479 (13)0.0017 (10)0.0076 (10)0.0136 (10)
C2B0.0732 (18)0.0333 (14)0.095 (2)0.0024 (12)0.0107 (15)0.0049 (13)
C3B0.099 (2)0.0725 (19)0.0487 (15)0.0081 (16)0.0005 (14)0.0292 (13)
C4B0.0561 (16)0.0499 (15)0.098 (2)0.0159 (12)0.0296 (14)0.0141 (14)
C5B0.0347 (11)0.0365 (11)0.0328 (11)0.0059 (9)0.0092 (9)0.0088 (9)
C6B0.0620 (15)0.0438 (14)0.0648 (16)0.0020 (11)0.0172 (12)0.0164 (12)
C7B0.0520 (14)0.0712 (16)0.0327 (12)0.0125 (12)0.0108 (10)0.0109 (11)
C8B0.0357 (12)0.0677 (16)0.0491 (13)0.0146 (11)0.0156 (10)0.0102 (12)
C9B0.0302 (11)0.0571 (14)0.0395 (12)0.0020 (10)0.0065 (9)0.0021 (10)
C10B0.0600 (17)0.126 (3)0.0452 (15)0.0080 (16)0.0160 (12)0.0066 (15)
C11B0.0351 (13)0.0728 (17)0.0704 (16)0.0143 (12)0.0046 (11)0.0163 (13)
C12B0.0467 (14)0.0531 (15)0.0893 (19)0.0005 (12)0.0116 (13)0.0004 (14)
C13B0.0300 (11)0.0458 (13)0.0460 (12)0.0055 (9)0.0034 (9)0.0215 (10)
C14B0.0296 (13)0.110 (2)0.131 (2)0.0214 (13)0.0140 (14)0.080 (2)
C15B0.096 (2)0.084 (2)0.0626 (17)0.0000 (16)0.0459 (15)0.0152 (15)
C16B0.0469 (14)0.0506 (14)0.0770 (17)0.0135 (11)0.0025 (12)0.0316 (13)
C17B0.0356 (11)0.0645 (15)0.0266 (11)0.0112 (10)0.0050 (9)0.0100 (10)
C18B0.098 (2)0.096 (2)0.088 (2)0.0247 (18)0.0494 (17)0.0498 (18)
C19B0.0605 (17)0.182 (3)0.0278 (13)0.0023 (19)0.0024 (12)0.0044 (16)
C20B0.0501 (15)0.134 (3)0.0408 (14)0.0380 (15)0.0162 (11)0.0266 (15)
C21B0.0501 (13)0.0337 (12)0.0344 (11)0.0145 (10)0.0084 (9)0.0009 (9)
C22B0.100 (2)0.0718 (17)0.0363 (13)0.0436 (15)0.0015 (13)0.0102 (12)
C23B0.0558 (15)0.0580 (15)0.0591 (15)0.0261 (12)0.0194 (12)0.0057 (12)
C24B0.0768 (18)0.0367 (14)0.0819 (18)0.0154 (12)0.0167 (14)0.0015 (13)
C25B0.0419 (12)0.0487 (13)0.0426 (12)0.0148 (10)0.0025 (9)0.0199 (10)
C26B0.0687 (16)0.0912 (19)0.0419 (14)0.0353 (14)0.0071 (12)0.0209 (13)
C27B0.0742 (18)0.0649 (17)0.099 (2)0.0120 (14)0.0019 (15)0.0455 (16)
C28B0.0531 (15)0.0773 (17)0.0603 (15)0.0338 (13)0.0064 (12)0.0233 (13)
C29B0.0350 (11)0.0269 (11)0.0430 (12)0.0005 (9)0.0021 (9)0.0008 (9)
C30B0.0322 (12)0.0529 (14)0.0714 (16)0.0010 (10)0.0043 (11)0.0055 (12)
C31B0.0684 (17)0.0389 (14)0.115 (2)0.0116 (12)0.0202 (16)0.0219 (15)
C32B0.0509 (15)0.095 (2)0.0499 (15)0.0024 (14)0.0085 (12)0.0203 (14)
Na1C0.0312 (4)0.0353 (4)0.0336 (4)0.0028 (3)0.0016 (3)0.0039 (3)
Na2C0.0319 (4)0.0340 (4)0.0318 (4)0.0104 (3)0.0008 (3)0.0047 (3)
Na3C0.0293 (4)0.0315 (4)0.0330 (4)0.0055 (3)0.0007 (3)0.0048 (3)
Na4C0.0271 (4)0.0317 (4)0.0301 (4)0.0056 (3)0.0034 (3)0.0047 (3)
Li1C0.0278 (16)0.0330 (17)0.0293 (16)0.0051 (13)0.0019 (13)0.0050 (14)
Li2C0.0284 (16)0.0344 (18)0.0285 (16)0.0073 (14)0.0027 (13)0.0049 (14)
Li3C0.0267 (16)0.0323 (17)0.0298 (16)0.0049 (13)0.0024 (13)0.0030 (13)
Li4C0.0281 (17)0.0351 (18)0.0325 (17)0.0071 (14)0.0005 (13)0.0047 (14)
O1C0.0267 (7)0.0290 (7)0.0272 (6)0.0056 (5)0.0012 (5)0.0076 (5)
O2C0.0253 (7)0.0276 (7)0.0280 (7)0.0040 (5)0.0038 (5)0.0065 (5)
O3C0.0287 (7)0.0277 (7)0.0306 (7)0.0004 (5)0.0003 (5)0.0022 (5)
O4C0.0300 (7)0.0288 (7)0.0293 (7)0.0075 (6)0.0043 (5)0.0041 (5)
O5C0.0261 (7)0.0329 (7)0.0262 (7)0.0008 (5)0.0041 (5)0.0095 (5)
O6C0.0329 (7)0.0345 (7)0.0307 (7)0.0105 (6)0.0002 (5)0.0128 (6)
O7C0.0239 (6)0.0263 (7)0.0262 (6)0.0022 (5)0.0013 (5)0.0003 (5)
O8C0.0290 (7)0.0267 (7)0.0288 (7)0.0067 (5)0.0034 (5)0.0016 (5)
C1C0.0273 (10)0.0348 (11)0.0302 (10)0.0072 (8)0.0004 (8)0.0092 (8)
C2C0.0282 (12)0.0732 (17)0.0771 (17)0.0139 (11)0.0025 (11)0.0295 (14)
C3C0.0606 (14)0.0456 (13)0.0329 (11)0.0104 (11)0.0089 (10)0.0116 (10)
C4C0.0508 (13)0.0342 (12)0.0437 (12)0.0119 (10)0.0012 (10)0.0108 (10)
C5C0.0257 (10)0.0336 (11)0.0320 (10)0.0033 (8)0.0063 (8)0.0089 (8)
C6C0.0287 (12)0.0887 (19)0.0709 (16)0.0118 (12)0.0087 (11)0.0334 (14)
C7C0.0634 (15)0.0345 (13)0.0551 (14)0.0028 (11)0.0186 (11)0.0119 (11)
C8C0.0593 (15)0.0547 (14)0.0334 (12)0.0014 (11)0.0114 (10)0.0114 (10)
C9C0.0317 (11)0.0275 (10)0.0318 (10)0.0001 (8)0.0006 (8)0.0010 (8)
C10C0.0566 (14)0.0481 (13)0.0317 (11)0.0036 (11)0.0009 (10)0.0004 (10)
C11C0.0643 (15)0.0316 (12)0.0563 (14)0.0028 (11)0.0095 (11)0.0022 (10)
C12C0.0319 (12)0.0582 (15)0.0554 (14)0.0003 (10)0.0046 (10)0.0024 (11)
C13C0.0292 (10)0.0346 (11)0.0347 (11)0.0071 (9)0.0035 (8)0.0066 (9)
C14C0.0531 (14)0.0326 (12)0.0520 (13)0.0088 (10)0.0005 (11)0.0058 (10)
C15C0.0467 (13)0.0511 (14)0.0333 (11)0.0043 (10)0.0075 (10)0.0065 (10)
C16C0.0344 (12)0.0598 (15)0.0591 (14)0.0177 (11)0.0049 (10)0.0106 (12)
C17C0.0245 (10)0.0375 (11)0.0268 (10)0.0009 (8)0.0014 (8)0.0090 (8)
C18C0.0414 (12)0.0387 (12)0.0574 (14)0.0025 (10)0.0009 (10)0.0202 (11)
C19C0.0424 (13)0.0651 (15)0.0311 (11)0.0001 (11)0.0018 (9)0.0108 (10)
C20C0.0292 (11)0.0500 (13)0.0391 (11)0.0028 (9)0.0041 (9)0.0144 (10)
C21C0.0308 (11)0.0376 (12)0.0377 (11)0.0079 (9)0.0006 (8)0.0151 (9)
C22C0.0375 (13)0.0717 (16)0.0629 (15)0.0186 (11)0.0012 (11)0.0263 (13)
C23C0.0633 (15)0.0388 (13)0.0555 (14)0.0082 (11)0.0042 (11)0.0194 (11)
C24C0.0570 (14)0.0584 (15)0.0348 (12)0.0097 (11)0.0014 (10)0.0166 (11)
C25C0.0250 (10)0.0292 (10)0.0300 (10)0.0029 (8)0.0012 (8)0.0001 (8)
C26C0.0568 (14)0.0329 (12)0.0502 (13)0.0063 (10)0.0065 (11)0.0018 (10)
C27C0.0252 (11)0.0619 (15)0.0611 (15)0.0055 (10)0.0011 (10)0.0064 (12)
C28C0.0415 (12)0.0510 (13)0.0338 (11)0.0023 (10)0.0057 (9)0.0032 (10)
C29C0.0300 (10)0.0356 (11)0.0327 (11)0.0086 (9)0.0025 (8)0.0046 (9)
C30C0.0604 (15)0.0565 (15)0.0371 (12)0.0157 (12)0.0052 (10)0.0098 (11)
C31C0.0304 (12)0.0748 (17)0.0677 (16)0.0169 (11)0.0002 (11)0.0125 (13)
C32C0.0618 (15)0.0346 (13)0.0611 (15)0.0169 (11)0.0072 (12)0.0021 (11)
Geometric parameters (Å, º) top
Na1A—O1A2.5184 (13)C11B—H11D0.980
Na1A—O3A2.3200 (12)C11B—H11E0.980
Na1A—O5A2.3104 (12)C11B—H11F0.980
Na1A—O7A2.5205 (13)C12B—H12D0.980
Na2A—O2A2.5289 (13)C12B—H12E0.980
Na2A—O3A2.3320 (13)C12B—H12F0.980
Na2A—O6A2.3136 (13)C13B—C14B1.517 (3)
Na2A—O7A2.5100 (12)C13B—C15B1.521 (3)
Na3A—O2A2.5000 (13)C13B—C16B1.526 (3)
Na3A—O4A2.3285 (13)C14B—H14D0.980
Na3A—O6A2.3426 (13)C14B—H14E0.980
Na3A—O8A2.5341 (12)C14B—H14F0.980
Na4A—O1A2.5125 (13)C15B—H15D0.980
Na4A—O4A2.3177 (13)C15B—H15E0.980
Na4A—O5A2.3071 (13)C15B—H15F0.980
Na4A—O8A2.5151 (13)C16B—H16D0.980
Li1A—O1A1.897 (3)C16B—H16E0.980
Li1A—O2A1.906 (3)C16B—H16F0.980
Li1A—O3A1.839 (3)C17B—C18B1.523 (3)
Li2A—O1A1.887 (3)C17B—C19B1.510 (3)
Li2A—O2A1.892 (3)C17B—C20B1.510 (3)
Li2A—O4A1.846 (3)C18B—H18D0.980
Li3A—O5A1.843 (3)C18B—H18E0.980
Li3A—O7A1.896 (3)C18B—H18F0.980
Li3A—O8A1.895 (3)C19B—H19D0.980
Li4A—O6A1.834 (3)C19B—H19E0.980
Li4A—O7A1.898 (3)C19B—H19F0.980
Li4A—O8A1.896 (3)C20B—H20D0.980
O1A—C1A1.412 (2)C20B—H20E0.980
O2A—C5A1.4164 (19)C20B—H20F0.980
O3A—C9A1.406 (2)C21B—C22B1.521 (3)
O4A—C13A1.402 (2)C21B—C23B1.536 (3)
O5A—C17A1.4037 (19)C21B—C24B1.534 (3)
O6A—C21A1.401 (2)C22B—H22D0.980
O7A—C25A1.414 (2)C22B—H22E0.980
O8A—C29A1.419 (2)C22B—H22F0.980
C1A—C2A1.526 (2)C23B—H23D0.980
C1A—C3A1.520 (3)C23B—H23E0.980
C1A—C4A1.534 (2)C23B—H23F0.980
C2A—H2A0.980C24B—H24D0.980
C2A—H2B0.980C24B—H24E0.980
C2A—H2C0.980C24B—H24F0.980
C3A—H3A0.980C25B—C26B1.522 (3)
C3A—H3B0.980C25B—C27B1.517 (3)
C3A—H3C0.980C25B—C28B1.528 (3)
C4A—H4A0.980C26B—H26D0.980
C4A—H4B0.980C26B—H26E0.980
C4A—H4C0.980C26B—H26F0.980
C5A—C6A1.531 (3)C27B—H27D0.980
C5A—C7A1.528 (3)C27B—H27E0.980
C5A—C8A1.514 (2)C27B—H27F0.980
C6A—H6A0.980C28B—H28D0.980
C6A—H6B0.980C28B—H28E0.980
C6A—H6C0.980C28B—H28F0.980
C7A—H7A0.980C29B—C30B1.520 (3)
C7A—H7B0.980C29B—C31B1.521 (3)
C7A—H7C0.980C29B—C32B1.519 (3)
C8A—H8A0.980C30B—H30D0.980
C8A—H8B0.980C30B—H30E0.980
C8A—H8C0.980C30B—H30F0.980
C9A—C10A1.530 (3)C31B—H31D0.980
C9A—C11A1.525 (3)C31B—H31E0.980
C9A—C12A1.529 (3)C31B—H31F0.980
C10A—H10A0.980C32B—H32D0.980
C10A—H10B0.980C32B—H32E0.980
C10A—H10C0.980C32B—H32F0.980
C11A—H11A0.980Na1C—O1C2.5776 (13)
C11A—H11B0.980Na1C—O3C2.2890 (13)
C11A—H11C0.980Na1C—O5C2.2704 (13)
C12A—H12A0.980Na1C—O8C2.5882 (13)
C12A—H12B0.980Na2C—O2C2.5332 (13)
C12A—H12C0.980Na2C—O4C2.3113 (13)
C13A—C14A1.527 (3)Na2C—O6C2.3137 (13)
C13A—C15A1.530 (3)Na2C—O7C2.5628 (13)
C13A—C16A1.533 (3)Na3C—O2C2.5041 (13)
C14A—H14A0.980Na3C—O3C2.3574 (13)
C14A—H14B0.980Na3C—O6C2.3526 (13)
C14A—H14C0.980Na3C—O8C2.4887 (13)
C15A—H15A0.980Na4C—O1C2.4985 (13)
C15A—H15B0.980Na4C—O4C2.3276 (13)
C15A—H15C0.980Na4C—O5C2.3395 (13)
C16A—H16A0.980Na4C—O7C2.4934 (12)
C16A—H16B0.980Li1C—O1C1.893 (3)
C16A—H16C0.980Li1C—O2C1.908 (3)
C17A—C18A1.531 (3)Li1C—O3C1.833 (3)
C17A—C19A1.524 (3)Li2C—O1C1.893 (3)
C17A—C20A1.528 (2)Li2C—O2C1.899 (3)
C18A—H18A0.980Li2C—O4C1.824 (3)
C18A—H18B0.980Li3C—O5C1.836 (3)
C18A—H18C0.980Li3C—O7C1.896 (3)
C19A—H19A0.980Li3C—O8C1.893 (3)
C19A—H19B0.980Li4C—O6C1.827 (3)
C19A—H19C0.980Li4C—O7C1.898 (3)
C20A—H20A0.980Li4C—O8C1.901 (3)
C20A—H20B0.980O1C—C1C1.4142 (19)
C20A—H20C0.980O2C—C5C1.4161 (19)
C21A—C22A1.516 (3)O3C—C9C1.404 (2)
C21A—C23A1.521 (3)O4C—C13C1.408 (2)
C21A—C24A1.534 (3)O5C—C17C1.407 (2)
C22A—H22A0.980O6C—C21C1.4079 (19)
C22A—H22B0.980O7C—C25C1.417 (2)
C22A—H22C0.980O8C—C29C1.412 (2)
C23A—H23A0.980C1C—C2C1.534 (3)
C23A—H23B0.980C1C—C3C1.519 (2)
C23A—H23C0.980C1C—C4C1.525 (3)
C24A—H24A0.980C2C—H2G0.980
C24A—H24B0.980C2C—H2H0.980
C24A—H24C0.980C2C—H2I0.980
C25A—C26A1.533 (3)C3C—H3G0.980
C25A—C27A1.525 (2)C3C—H3H0.980
C25A—C28A1.526 (2)C3C—H3I0.980
C26A—H26A0.980C4C—H4G0.980
C26A—H26B0.980C4C—H4H0.980
C26A—H26C0.980C4C—H4I0.980
C27A—H27A0.980C5C—C6C1.527 (2)
C27A—H27B0.980C5C—C7C1.518 (3)
C27A—H27C0.980C5C—C8C1.521 (3)
C28A—H28A0.980C6C—H6G0.980
C28A—H28B0.980C6C—H6H0.980
C28A—H28C0.980C6C—H6I0.980
C29A—C30A1.521 (3)C7C—H7G0.980
C29A—C31A1.522 (3)C7C—H7H0.980
C29A—C32A1.528 (3)C7C—H7I0.980
C30A—H30A0.980C8C—H8G0.980
C30A—H30B0.980C8C—H8H0.980
C30A—H30C0.980C8C—H8I0.980
C31A—H31A0.980C9C—C10C1.533 (3)
C31A—H31B0.980C9C—C11C1.523 (3)
C31A—H31C0.980C9C—C12C1.533 (3)
C32A—H32A0.980C10C—H10G0.980
C32A—H32B0.980C10C—H10H0.980
C32A—H32C0.980C10C—H10I0.980
Na1B—O1B2.5372 (14)C11C—H11G0.980
Na1B—O3B2.2895 (14)C11C—H11H0.980
Na1B—O5B2.3059 (14)C11C—H11I0.980
Na1B—O7B2.6030 (15)C12C—H12G0.980
Na2B—O2B2.5735 (13)C12C—H12H0.980
Na2B—O3B2.3178 (14)C12C—H12I0.980
Na2B—O6B2.3112 (14)C13C—C14C1.522 (3)
Na2B—O7B2.5375 (14)C13C—C15C1.528 (3)
Na3B—O2B2.4986 (13)C13C—C16C1.544 (2)
Na3B—O4B2.3491 (13)C14C—H14G0.980
Na3B—O6B2.3449 (13)C14C—H14H0.980
Na3B—O8B2.4775 (13)C14C—H14I0.980
Na4B—O1B2.4955 (13)C15C—H15G0.980
Na4B—O4B2.3251 (13)C15C—H15H0.980
Na4B—O5B2.3481 (13)C15C—H15I0.980
Na4B—O8B2.4916 (13)C16C—H16G0.980
Li1B—O1B1.890 (3)C16C—H16H0.980
Li1B—O2B1.902 (3)C16C—H16I0.980
Li1B—O4B1.824 (3)C17C—C18C1.529 (3)
Li2B—O1B1.903 (3)C17C—C19C1.526 (2)
Li2B—O2B1.895 (3)C17C—C20C1.541 (2)
Li2B—O3B1.828 (3)C18C—H18G0.980
Li3B—O5B1.828 (3)C18C—H18H0.980
Li3B—O7B1.897 (3)C18C—H18I0.980
Li3B—O8B1.907 (3)C19C—H19G0.980
Li4B—O6B1.827 (3)C19C—H19H0.980
Li4B—O7B1.892 (3)C19C—H19I0.980
Li4B—O8B1.913 (3)C20C—H20G0.980
O1B—C1B1.413 (2)C20C—H20H0.980
O2B—C5B1.413 (2)C20C—H20I0.980
O3B—C9B1.402 (2)C21C—C22C1.535 (3)
O4B—C13B1.406 (2)C21C—C23C1.525 (3)
O5B—C17B1.409 (2)C21C—C24C1.531 (3)
O6B—C21B1.404 (2)C22C—H22G0.980
O7B—C25B1.424 (2)C22C—H22H0.980
O8B—C29B1.421 (2)C22C—H22I0.980
C1B—C2B1.529 (3)C23C—H23G0.980
C1B—C3B1.527 (3)C23C—H23H0.980
C1B—C4B1.529 (3)C23C—H23I0.980
C2B—H2D0.980C24C—H24G0.980
C2B—H2E0.980C24C—H24H0.980
C2B—H2F0.980C24C—H24I0.980
C3B—H3D0.980C25C—C26C1.531 (3)
C3B—H3E0.980C25C—C27C1.528 (2)
C3B—H3F0.980C25C—C28C1.517 (2)
C4B—H4D0.980C26C—H26G0.980
C4B—H4E0.980C26C—H26H0.980
C4B—H4F0.980C26C—H26I0.980
C5B—C6B1.524 (3)C27C—H27G0.980
C5B—C7B1.531 (3)C27C—H27H0.980
C5B—C8B1.529 (2)C27C—H27I0.980
C6B—H6D0.980C28C—H28G0.980
C6B—H6E0.980C28C—H28H0.980
C6B—H6F0.980C28C—H28I0.980
C7B—H7D0.980C29C—C30C1.528 (3)
C7B—H7E0.980C29C—C31C1.533 (3)
C7B—H7F0.980C29C—C32C1.529 (3)
C8B—H8D0.980C30C—H30G0.980
C8B—H8E0.980C30C—H30H0.980
C8B—H8F0.980C30C—H30I0.980
C9B—C10B1.527 (3)C31C—H31G0.980
C9B—C11B1.530 (3)C31C—H31H0.980
C9B—C12B1.536 (3)C31C—H31I0.980
C10B—H10D0.980C32C—H32G0.980
C10B—H10E0.980C32C—H32H0.980
C10B—H10F0.980C32C—H32I0.980
O1A—Na1A—O3A82.11 (4)H8D—C8B—H8F109.5
O1A—Na1A—O5A87.83 (4)H8E—C8B—H8F109.5
O1A—Na1A—O7A116.94 (4)O3B—C9B—C10B110.50 (17)
O3A—Na1A—O5A162.20 (5)O3B—C9B—C11B109.56 (17)
O3A—Na1A—O7A89.11 (4)O3B—C9B—C12B110.19 (16)
O5A—Na1A—O7A82.38 (4)C10B—C9B—C11B109.14 (18)
O2A—Na2A—O3A82.51 (4)C10B—C9B—C12B109.63 (19)
O2A—Na2A—O6A88.78 (4)C11B—C9B—C12B107.77 (18)
O2A—Na2A—O7A117.23 (4)C9B—C10B—H10D109.5
O3A—Na2A—O6A162.71 (5)C9B—C10B—H10E109.5
O3A—Na2A—O7A89.10 (4)C9B—C10B—H10F109.5
O6A—Na2A—O7A81.63 (4)H10D—C10B—H10E109.5
O2A—Na3A—O4A82.17 (4)H10D—C10B—H10F109.5
O2A—Na3A—O6A88.83 (4)H10E—C10B—H10F109.5
O2A—Na3A—O8A117.72 (4)C9B—C11B—H11D109.5
O4A—Na3A—O6A161.77 (5)C9B—C11B—H11E109.5
O4A—Na3A—O8A87.97 (4)C9B—C11B—H11F109.5
O6A—Na3A—O8A82.21 (4)H11D—C11B—H11E109.5
O1A—Na4A—O4A82.34 (4)H11D—C11B—H11F109.5
O1A—Na4A—O5A88.04 (4)H11E—C11B—H11F109.5
O1A—Na4A—O8A117.56 (4)C9B—C12B—H12D109.5
O4A—Na4A—O5A162.00 (5)C9B—C12B—H12E109.5
O4A—Na4A—O8A88.66 (4)C9B—C12B—H12F109.5
O5A—Na4A—O8A82.33 (4)H12D—C12B—H12E109.5
O1A—Li1A—O2A96.34 (14)H12D—C12B—H12F109.5
O1A—Li1A—O3A116.75 (15)H12E—C12B—H12F109.5
O2A—Li1A—O3A117.90 (16)O4B—C13B—C14B110.59 (16)
O1A—Li2A—O2A97.20 (14)O4B—C13B—C15B109.42 (17)
O1A—Li2A—O4A117.01 (15)O4B—C13B—C16B110.55 (15)
O2A—Li2A—O4A116.34 (16)C14B—C13B—C15B109.43 (19)
O5A—Li3A—O7A116.84 (16)C14B—C13B—C16B108.48 (18)
O5A—Li3A—O8A116.45 (16)C15B—C13B—C16B108.33 (18)
O7A—Li3A—O8A97.44 (13)C13B—C14B—H14D109.5
O6A—Li4A—O7A115.47 (16)C13B—C14B—H14E109.5
O6A—Li4A—O8A118.74 (16)C13B—C14B—H14F109.5
O7A—Li4A—O8A97.34 (14)H14D—C14B—H14E109.5
Na1A—O1A—Na4A81.37 (4)H14D—C14B—H14F109.5
Na1A—O1A—Li1A76.50 (10)H14E—C14B—H14F109.5
Na1A—O1A—Li2A127.54 (10)C13B—C15B—H15D109.5
Na1A—O1A—C1A111.56 (9)C13B—C15B—H15E109.5
Na4A—O1A—Li1A127.47 (10)C13B—C15B—H15F109.5
Na4A—O1A—Li2A76.60 (9)H15D—C15B—H15E109.5
Na4A—O1A—C1A111.38 (9)H15D—C15B—H15F109.5
Li1A—O1A—Li2A80.38 (13)H15E—C15B—H15F109.5
Li1A—O1A—C1A120.99 (13)C13B—C16B—H16D109.5
Li2A—O1A—C1A120.74 (13)C13B—C16B—H16E109.5
Na2A—O2A—Na3A81.12 (4)C13B—C16B—H16F109.5
Na2A—O2A—Li1A75.80 (10)H16D—C16B—H16E109.5
Na2A—O2A—Li2A126.83 (10)H16D—C16B—H16F109.5
Na2A—O2A—C5A111.79 (10)H16E—C16B—H16F109.5
Na3A—O2A—Li1A127.27 (10)O5B—C17B—C18B109.79 (18)
Na3A—O2A—Li2A77.18 (10)O5B—C17B—C19B110.17 (17)
Na3A—O2A—C5A113.70 (10)O5B—C17B—C20B110.22 (15)
Li1A—O2A—Li2A80.03 (13)C18B—C17B—C19B109.0 (2)
Li1A—O2A—C5A118.81 (13)C18B—C17B—C20B108.2 (2)
Li2A—O2A—C5A121.36 (13)C19B—C17B—C20B109.4 (2)
Na1A—O3A—Na2A88.97 (4)C17B—C18B—H18D109.5
Na1A—O3A—Li1A82.92 (10)C17B—C18B—H18E109.5
Na1A—O3A—C9A127.92 (10)C17B—C18B—H18F109.5
Na2A—O3A—Li1A82.27 (10)H18D—C18B—H18E109.5
Na2A—O3A—C9A134.65 (10)H18D—C18B—H18F109.5
Li1A—O3A—C9A122.68 (14)H18E—C18B—H18F109.5
Na3A—O4A—Na4A89.67 (4)C17B—C19B—H19D109.5
Na3A—O4A—Li2A82.64 (10)C17B—C19B—H19E109.5
Na3A—O4A—C13A131.45 (11)C17B—C19B—H19F109.5
Na4A—O4A—Li2A82.58 (10)H19D—C19B—H19E109.5
Na4A—O4A—C13A132.93 (11)H19D—C19B—H19F109.5
Li2A—O4A—C13A119.18 (14)H19E—C19B—H19F109.5
Na1A—O5A—Na4A90.51 (4)C17B—C20B—H20D109.5
Na1A—O5A—Li3A83.01 (10)C17B—C20B—H20E109.5
Na1A—O5A—C17A129.79 (10)C17B—C20B—H20F109.5
Na4A—O5A—Li3A83.08 (10)H20D—C20B—H20E109.5
Na4A—O5A—C17A134.12 (10)H20D—C20B—H20F109.5
Li3A—O5A—C17A118.11 (13)H20E—C20B—H20F109.5
Na2A—O6A—Na3A89.23 (5)O6B—C21B—C22B110.30 (15)
Na2A—O6A—Li4A83.69 (10)O6B—C21B—C23B110.51 (16)
Na2A—O6A—C21A133.39 (10)O6B—C21B—C24B110.00 (16)
Na3A—O6A—Li4A81.92 (10)C22B—C21B—C23B108.81 (17)
Na3A—O6A—C21A129.65 (10)C22B—C21B—C24B108.72 (19)
Li4A—O6A—C21A121.42 (14)C23B—C21B—C24B108.46 (17)
Na1A—O7A—Na2A80.79 (4)C21B—C22B—H22D109.5
Na1A—O7A—Li3A76.38 (10)C21B—C22B—H22E109.5
Na1A—O7A—Li4A126.95 (10)C21B—C22B—H22F109.5
Na1A—O7A—C25A114.87 (10)H22D—C22B—H22E109.5
Na2A—O7A—Li3A127.08 (10)H22D—C22B—H22F109.5
Na2A—O7A—Li4A77.15 (9)H22E—C22B—H22F109.5
Na2A—O7A—C25A111.26 (9)C21B—C23B—H23D109.5
Li3A—O7A—Li4A79.75 (13)C21B—C23B—H23E109.5
Li3A—O7A—C25A121.64 (13)C21B—C23B—H23F109.5
Li4A—O7A—C25A118.03 (13)H23D—C23B—H23E109.5
Na3A—O8A—Na4A80.90 (4)H23D—C23B—H23F109.5
Na3A—O8A—Li3A126.07 (10)H23E—C23B—H23F109.5
Na3A—O8A—Li4A75.70 (9)C21B—C24B—H24D109.5
Na3A—O8A—C29A113.11 (9)C21B—C24B—H24E109.5
Na4A—O8A—Li3A76.52 (10)C21B—C24B—H24F109.5
Na4A—O8A—Li4A126.60 (10)H24D—C24B—H24E109.5
Na4A—O8A—C29A111.69 (10)H24D—C24B—H24F109.5
Li3A—O8A—Li4A79.83 (13)H24E—C24B—H24F109.5
Li3A—O8A—C29A120.68 (13)O7B—C25B—C26B109.61 (16)
Li4A—O8A—C29A121.58 (14)O7B—C25B—C27B109.55 (17)
O1A—C1A—C2A109.58 (14)O7B—C25B—C28B110.29 (15)
O1A—C1A—C3A110.65 (14)C26B—C25B—C27B110.18 (19)
O1A—C1A—C4A110.46 (14)C26B—C25B—C28B108.28 (18)
C2A—C1A—C3A109.00 (16)C27B—C25B—C28B108.91 (19)
C2A—C1A—C4A109.01 (16)C25B—C26B—H26D109.5
C3A—C1A—C4A108.10 (15)C25B—C26B—H26E109.5
C1A—C2A—H2A109.5C25B—C26B—H26F109.5
C1A—C2A—H2B109.5H26D—C26B—H26E109.5
C1A—C2A—H2C109.5H26D—C26B—H26F109.5
H2A—C2A—H2B109.5H26E—C26B—H26F109.5
H2A—C2A—H2C109.5C25B—C27B—H27D109.5
H2B—C2A—H2C109.5C25B—C27B—H27E109.5
C1A—C3A—H3A109.5C25B—C27B—H27F109.5
C1A—C3A—H3B109.5H27D—C27B—H27E109.5
C1A—C3A—H3C109.5H27D—C27B—H27F109.5
H3A—C3A—H3B109.5H27E—C27B—H27F109.5
H3A—C3A—H3C109.5C25B—C28B—H28D109.5
H3B—C3A—H3C109.5C25B—C28B—H28E109.5
C1A—C4A—H4A109.5C25B—C28B—H28F109.5
C1A—C4A—H4B109.5H28D—C28B—H28E109.5
C1A—C4A—H4C109.5H28D—C28B—H28F109.5
H4A—C4A—H4B109.5H28E—C28B—H28F109.5
H4A—C4A—H4C109.5O8B—C29B—C30B110.49 (15)
H4B—C4A—H4C109.5O8B—C29B—C31B108.48 (16)
O2A—C5A—C6A109.03 (14)O8B—C29B—C32B110.27 (16)
O2A—C5A—C7A110.53 (14)C30B—C29B—C31B108.96 (18)
O2A—C5A—C8A109.74 (14)C30B—C29B—C32B108.51 (17)
C6A—C5A—C7A109.69 (17)C31B—C29B—C32B110.11 (19)
C6A—C5A—C8A108.90 (16)C29B—C30B—H30D109.5
C7A—C5A—C8A108.94 (16)C29B—C30B—H30E109.5
C5A—C6A—H6A109.5C29B—C30B—H30F109.5
C5A—C6A—H6B109.5H30D—C30B—H30E109.5
C5A—C6A—H6C109.5H30D—C30B—H30F109.5
H6A—C6A—H6B109.5H30E—C30B—H30F109.5
H6A—C6A—H6C109.5C29B—C31B—H31D109.5
H6B—C6A—H6C109.5C29B—C31B—H31E109.5
C5A—C7A—H7A109.5C29B—C31B—H31F109.5
C5A—C7A—H7B109.5H31D—C31B—H31E109.5
C5A—C7A—H7C109.5H31D—C31B—H31F109.5
H7A—C7A—H7B109.5H31E—C31B—H31F109.5
H7A—C7A—H7C109.5C29B—C32B—H32D109.5
H7B—C7A—H7C109.5C29B—C32B—H32E109.5
C5A—C8A—H8A109.5C29B—C32B—H32F109.5
C5A—C8A—H8B109.5H32D—C32B—H32E109.5
C5A—C8A—H8C109.5H32D—C32B—H32F109.5
H8A—C8A—H8B109.5H32E—C32B—H32F109.5
H8A—C8A—H8C109.5O1C—Na1C—O3C81.77 (4)
H8B—C8A—H8C109.5O1C—Na1C—O5C88.41 (4)
O3A—C9A—C10A110.62 (14)O1C—Na1C—O8C116.08 (4)
O3A—C9A—C11A110.04 (15)O3C—Na1C—O5C161.40 (5)
O3A—C9A—C12A110.14 (15)O3C—Na1C—O8C88.55 (4)
C10A—C9A—C11A109.50 (17)O5C—Na1C—O8C81.61 (4)
C10A—C9A—C12A107.70 (16)O2C—Na2C—O4C81.80 (4)
C11A—C9A—C12A108.78 (16)O2C—Na2C—O6C89.28 (4)
C9A—C10A—H10A109.5O2C—Na2C—O7C116.57 (4)
C9A—C10A—H10B109.5O4C—Na2C—O6C161.57 (5)
C9A—C10A—H10C109.5O4C—Na2C—O7C88.13 (4)
H10A—C10A—H10B109.5O6C—Na2C—O7C81.46 (4)
H10A—C10A—H10C109.5O2C—Na3C—O3C81.67 (4)
H10B—C10A—H10C109.5O2C—Na3C—O6C89.12 (4)
C9A—C11A—H11A109.5O2C—Na3C—O8C119.40 (5)
C9A—C11A—H11B109.5O3C—Na3C—O6C161.74 (5)
C9A—C11A—H11C109.5O3C—Na3C—O8C89.45 (4)
H11A—C11A—H11B109.5O6C—Na3C—O8C81.35 (4)
H11A—C11A—H11C109.5O1C—Na4C—O4C81.31 (4)
H11B—C11A—H11C109.5O1C—Na4C—O5C88.81 (4)
C9A—C12A—H12A109.5O1C—Na4C—O7C119.87 (4)
C9A—C12A—H12B109.5O4C—Na4C—O5C161.53 (5)
C9A—C12A—H12C109.5O4C—Na4C—O7C89.45 (4)
H12A—C12A—H12B109.5O5C—Na4C—O7C81.96 (4)
H12A—C12A—H12C109.5O1C—Li1C—O2C97.22 (14)
H12B—C12A—H12C109.5O1C—Li1C—O3C117.92 (16)
O4A—C13A—C14A110.16 (15)O2C—Li1C—O3C116.47 (15)
O4A—C13A—C15A110.38 (16)O1C—Li2C—O2C97.57 (14)
O4A—C13A—C16A109.82 (15)O1C—Li2C—O4C115.70 (16)
C14A—C13A—C15A109.02 (17)O2C—Li2C—O4C117.12 (15)
C14A—C13A—C16A108.80 (17)O5C—Li3C—O7C116.39 (16)
C15A—C13A—C16A108.62 (17)O5C—Li3C—O8C117.30 (16)
C13A—C14A—H14A109.5O7C—Li3C—O8C97.97 (14)
C13A—C14A—H14B109.5O6C—Li4C—O7C117.68 (16)
C13A—C14A—H14C109.5O6C—Li4C—O8C115.75 (16)
H14A—C14A—H14B109.5O7C—Li4C—O8C97.62 (14)
H14A—C14A—H14C109.5Na1C—O1C—Na4C80.32 (4)
H14B—C14A—H14C109.5Na1C—O1C—Li1C74.97 (10)
C13A—C15A—H15A109.5Na1C—O1C—Li2C126.55 (10)
C13A—C15A—H15B109.5Na1C—O1C—C1C114.28 (9)
C13A—C15A—H15C109.5Na4C—O1C—Li1C125.88 (10)
H15A—C15A—H15B109.5Na4C—O1C—Li2C77.48 (10)
H15A—C15A—H15C109.5Na4C—O1C—C1C110.49 (10)
H15B—C15A—H15C109.5Li1C—O1C—Li2C80.02 (13)
C13A—C16A—H16A109.5Li1C—O1C—C1C123.49 (13)
C13A—C16A—H16B109.5Li2C—O1C—C1C118.96 (13)
C13A—C16A—H16C109.5Na2C—O2C—Na3C80.86 (4)
H16A—C16A—H16B109.5Na2C—O2C—Li1C126.78 (10)
H16A—C16A—H16C109.5Na2C—O2C—Li2C76.23 (9)
H16B—C16A—H16C109.5Na2C—O2C—C5C114.10 (9)
O5A—C17A—C18A110.01 (14)Na3C—O2C—Li1C77.33 (10)
O5A—C17A—C19A110.61 (15)Na3C—O2C—Li2C127.05 (10)
O5A—C17A—C20A109.61 (14)Na3C—O2C—C5C112.20 (9)
C18A—C17A—C19A108.93 (16)Li1C—O2C—Li2C79.49 (13)
C18A—C17A—C20A109.06 (15)Li1C—O2C—C5C119.05 (13)
C19A—C17A—C20A108.59 (15)Li2C—O2C—C5C120.70 (13)
C17A—C18A—H18A109.5Na1C—O3C—Na3C89.69 (5)
C17A—C18A—H18B109.5Na1C—O3C—Li1C83.83 (10)
C17A—C18A—H18C109.5Na1C—O3C—C9C126.02 (10)
H18A—C18A—H18B109.5Na3C—O3C—Li1C82.68 (10)
H18A—C18A—H18C109.5Na3C—O3C—C9C136.31 (10)
H18B—C18A—H18C109.5Li1C—O3C—C9C121.19 (14)
C17A—C19A—H19A109.5Na2C—O4C—Na4C89.60 (4)
C17A—C19A—H19B109.5Na2C—O4C—Li2C83.63 (10)
C17A—C19A—H19C109.5Na2C—O4C—C13C127.70 (10)
H19A—C19A—H19B109.5Na4C—O4C—Li2C83.44 (10)
H19A—C19A—H19C109.5Na4C—O4C—C13C134.32 (11)
H19B—C19A—H19C109.5Li2C—O4C—C13C121.41 (14)
C17A—C20A—H20A109.5Na1C—O5C—Na4C90.50 (5)
C17A—C20A—H20B109.5Na1C—O5C—Li3C84.61 (10)
C17A—C20A—H20C109.5Na1C—O5C—C17C129.36 (10)
H20A—C20A—H20B109.5Na4C—O5C—Li3C82.57 (10)
H20A—C20A—H20C109.5Na4C—O5C—C17C134.33 (10)
H20B—C20A—H20C109.5Li3C—O5C—C17C117.78 (13)
O6A—C21A—C22A109.94 (16)Na2C—O6C—Na3C88.86 (4)
O6A—C21A—C23A110.69 (15)Na2C—O6C—Li4C83.71 (10)
O6A—C21A—C24A110.45 (15)Na2C—O6C—C21C128.31 (11)
C22A—C21A—C23A109.15 (19)Na3C—O6C—Li4C82.92 (10)
C22A—C21A—C24A108.64 (18)Na3C—O6C—C21C134.71 (11)
C23A—C21A—C24A107.91 (17)Li4C—O6C—C21C121.18 (14)
C21A—C22A—H22A109.5Na2C—O7C—Na4C80.54 (4)
C21A—C22A—H22B109.5Na2C—O7C—Li3C125.83 (10)
C21A—C22A—H22C109.5Na2C—O7C—Li4C75.69 (10)
H22A—C22A—H22B109.5Na2C—O7C—C25C112.65 (9)
H22A—C22A—H22C109.5Na4C—O7C—Li3C77.30 (9)
H22B—C22A—H22C109.5Na4C—O7C—Li4C126.83 (10)
C21A—C23A—H23A109.5Na4C—O7C—C25C111.82 (9)
C21A—C23A—H23B109.5Li3C—O7C—Li4C79.44 (13)
C21A—C23A—H23C109.5Li3C—O7C—C25C121.43 (13)
H23A—C23A—H23B109.5Li4C—O7C—C25C121.14 (13)
H23A—C23A—H23C109.5Na1C—O8C—Na3C80.38 (4)
H23B—C23A—H23C109.5Na1C—O8C—Li3C74.98 (9)
C21A—C24A—H24A109.5Na1C—O8C—Li4C126.36 (10)
C21A—C24A—H24B109.5Na1C—O8C—C29C114.38 (9)
C21A—C24A—H24C109.5Na3C—O8C—Li3C125.86 (10)
H24A—C24A—H24B109.5Na3C—O8C—Li4C77.83 (10)
H24A—C24A—H24C109.5Na3C—O8C—C29C111.81 (10)
H24B—C24A—H24C109.5Li3C—O8C—Li4C79.44 (13)
O7A—C25A—C26A109.38 (14)Li3C—O8C—C29C122.20 (14)
O7A—C25A—C27A110.34 (14)Li4C—O8C—C29C119.18 (13)
O7A—C25A—C28A110.42 (14)O1C—C1C—C2C108.87 (14)
C26A—C25A—C27A109.13 (16)O1C—C1C—C3C110.13 (14)
C26A—C25A—C28A108.82 (15)O1C—C1C—C4C110.56 (14)
C27A—C25A—C28A108.71 (15)C2C—C1C—C3C109.40 (16)
C25A—C26A—H26A109.5C2C—C1C—C4C108.94 (16)
C25A—C26A—H26B109.5C3C—C1C—C4C108.92 (15)
C25A—C26A—H26C109.5C1C—C2C—H2G109.5
H26A—C26A—H26B109.5C1C—C2C—H2H109.5
H26A—C26A—H26C109.5C1C—C2C—H2I109.5
H26B—C26A—H26C109.5H2G—C2C—H2H109.5
C25A—C27A—H27A109.5H2G—C2C—H2I109.5
C25A—C27A—H27B109.5H2H—C2C—H2I109.5
C25A—C27A—H27C109.5C1C—C3C—H3G109.5
H27A—C27A—H27B109.5C1C—C3C—H3H109.5
H27A—C27A—H27C109.5C1C—C3C—H3I109.5
H27B—C27A—H27C109.5H3G—C3C—H3H109.5
C25A—C28A—H28A109.5H3G—C3C—H3I109.5
C25A—C28A—H28B109.5H3H—C3C—H3I109.5
C25A—C28A—H28C109.5C1C—C4C—H4G109.5
H28A—C28A—H28B109.5C1C—C4C—H4H109.5
H28A—C28A—H28C109.5C1C—C4C—H4I109.5
H28B—C28A—H28C109.5H4G—C4C—H4H109.5
O8A—C29A—C30A109.29 (15)H4G—C4C—H4I109.5
O8A—C29A—C31A110.25 (14)H4H—C4C—H4I109.5
O8A—C29A—C32A109.98 (15)O2C—C5C—C6C109.19 (15)
C30A—C29A—C31A109.54 (17)O2C—C5C—C7C110.31 (14)
C30A—C29A—C32A109.22 (17)O2C—C5C—C8C110.47 (15)
C31A—C29A—C32A108.54 (17)C6C—C5C—C7C109.14 (17)
C29A—C30A—H30A109.5C6C—C5C—C8C109.14 (16)
C29A—C30A—H30B109.5C7C—C5C—C8C108.57 (16)
C29A—C30A—H30C109.5C5C—C6C—H6G109.5
H30A—C30A—H30B109.5C5C—C6C—H6H109.5
H30A—C30A—H30C109.5C5C—C6C—H6I109.5
H30B—C30A—H30C109.5H6G—C6C—H6H109.5
C29A—C31A—H31A109.5H6G—C6C—H6I109.5
C29A—C31A—H31B109.5H6H—C6C—H6I109.5
C29A—C31A—H31C109.5C5C—C7C—H7G109.5
H31A—C31A—H31B109.5C5C—C7C—H7H109.5
H31A—C31A—H31C109.5C5C—C7C—H7I109.5
H31B—C31A—H31C109.5H7G—C7C—H7H109.5
C29A—C32A—H32A109.5H7G—C7C—H7I109.5
C29A—C32A—H32B109.5H7H—C7C—H7I109.5
C29A—C32A—H32C109.5C5C—C8C—H8G109.5
H32A—C32A—H32B109.5C5C—C8C—H8H109.5
H32A—C32A—H32C109.5C5C—C8C—H8I109.5
H32B—C32A—H32C109.5H8G—C8C—H8H109.5
O1B—Na1B—O3B81.49 (5)H8G—C8C—H8I109.5
O1B—Na1B—O5B89.09 (5)H8H—C8C—H8I109.5
O1B—Na1B—O7B117.51 (4)O3C—C9C—C10C110.25 (15)
O3B—Na1B—O5B160.86 (5)O3C—C9C—C11C110.49 (15)
O3B—Na1B—O7B88.67 (5)O3C—C9C—C12C110.16 (15)
O5B—Na1B—O7B80.92 (5)C10C—C9C—C11C108.81 (16)
O2B—Na2B—O3B81.24 (5)C10C—C9C—C12C108.22 (16)
O2B—Na2B—O6B88.69 (4)C11C—C9C—C12C108.86 (16)
O2B—Na2B—O7B119.05 (4)C9C—C10C—H10G109.5
O3B—Na2B—O6B161.36 (5)C9C—C10C—H10H109.5
O3B—Na2B—O7B89.66 (5)C9C—C10C—H10I109.5
O6B—Na2B—O7B81.54 (5)H10G—C10C—H10H109.5
O2B—Na3B—O4B81.68 (4)H10G—C10C—H10I109.5
O2B—Na3B—O6B89.76 (5)H10H—C10C—H10I109.5
O2B—Na3B—O8B118.51 (4)C9C—C11C—H11G109.5
O4B—Na3B—O6B162.39 (5)C9C—C11C—H11H109.5
O4B—Na3B—O8B88.42 (4)C9C—C11C—H11I109.5
O6B—Na3B—O8B82.16 (4)H11G—C11C—H11H109.5
O1B—Na4B—O4B81.59 (4)H11G—C11C—H11I109.5
O1B—Na4B—O5B89.16 (5)H11H—C11C—H11I109.5
O1B—Na4B—O8B117.43 (4)C9C—C12C—H12G109.5
O4B—Na4B—O5B162.01 (5)C9C—C12C—H12H109.5
O4B—Na4B—O8B88.62 (4)C9C—C12C—H12I109.5
O5B—Na4B—O8B81.98 (4)H12G—C12C—H12H109.5
O1B—Li1B—O2B98.11 (14)H12G—C12C—H12I109.5
O1B—Li1B—O4B116.15 (16)H12H—C12C—H12I109.5
O2B—Li1B—O4B116.70 (17)O4C—C13C—C14C110.25 (15)
O1B—Li2B—O2B97.90 (14)O4C—C13C—C15C109.88 (15)
O1B—Li2B—O3B115.55 (17)O4C—C13C—C16C110.01 (14)
O2B—Li2B—O3B117.93 (17)C14C—C13C—C15C109.47 (16)
O5B—Li3B—O7B118.00 (18)C14C—C13C—C16C109.00 (16)
O5B—Li3B—O8B116.49 (16)C15C—C13C—C16C108.20 (16)
O7B—Li3B—O8B97.74 (15)C13C—C14C—H14G109.5
O6B—Li4B—O7B117.01 (18)C13C—C14C—H14H109.5
O6B—Li4B—O8B115.93 (16)C13C—C14C—H14I109.5
O7B—Li4B—O8B97.72 (15)H14G—C14C—H14H109.5
Na1B—O1B—Na4B81.09 (4)H14G—C14C—H14I109.5
Na1B—O1B—Li1B127.75 (11)H14H—C14C—H14I109.5
Na1B—O1B—Li2B76.59 (10)C13C—C15C—H15G109.5
Na1B—O1B—C1B112.42 (11)C13C—C15C—H15H109.5
Na4B—O1B—Li1B77.29 (10)C13C—C15C—H15I109.5
Na4B—O1B—Li2B126.32 (11)H15G—C15C—H15H109.5
Na4B—O1B—C1B111.61 (10)H15G—C15C—H15I109.5
Li1B—O1B—Li2B79.17 (13)H15H—C15C—H15I109.5
Li1B—O1B—C1B119.71 (15)C13C—C16C—H16G109.5
Li2B—O1B—C1B121.99 (14)C13C—C16C—H16H109.5
Na2B—O2B—Na3B79.94 (4)C13C—C16C—H16I109.5
Na2B—O2B—Li1B125.72 (10)H16G—C16C—H16H109.5
Na2B—O2B—Li2B75.58 (10)H16G—C16C—H16I109.5
Na2B—O2B—C5B112.90 (9)H16H—C16C—H16I109.5
Na3B—O2B—Li1B77.09 (10)O5C—C17C—C18C110.10 (15)
Na3B—O2B—Li2B125.38 (11)O5C—C17C—C19C110.37 (14)
Na3B—O2B—C5B111.87 (10)O5C—C17C—C20C109.71 (14)
Li1B—O2B—Li2B79.05 (13)C18C—C17C—C19C108.97 (15)
Li1B—O2B—C5B121.23 (13)C18C—C17C—C20C108.97 (15)
Li2B—O2B—C5B122.54 (14)C19C—C17C—C20C108.69 (15)
Na1B—O3B—Na2B90.77 (5)C17C—C18C—H18G109.5
Na1B—O3B—Li2B84.76 (11)C17C—C18C—H18H109.5
Na1B—O3B—C9B134.73 (11)C17C—C18C—H18I109.5
Na2B—O3B—Li2B83.72 (11)H18G—C18C—H18H109.5
Na2B—O3B—C9B127.31 (11)H18G—C18C—H18I109.5
Li2B—O3B—C9B118.91 (15)H18H—C18C—H18I109.5
Na3B—O4B—Na4B88.56 (4)C17C—C19C—H19G109.5
Na3B—O4B—Li1B82.57 (10)C17C—C19C—H19H109.5
Na3B—O4B—C13B130.72 (11)C17C—C19C—H19I109.5
Na4B—O4B—Li1B83.17 (10)H19G—C19C—H19H109.5
Na4B—O4B—C13B135.41 (11)H19G—C19C—H19I109.5
Li1B—O4B—C13B117.40 (14)H19H—C19C—H19I109.5
Na1B—O5B—Na4B89.32 (5)C17C—C20C—H20G109.5
Na1B—O5B—Li3B84.01 (11)C17C—C20C—H20H109.5
Na1B—O5B—C17B130.29 (11)C17C—C20C—H20I109.5
Na4B—O5B—Li3B82.74 (10)H20G—C20C—H20H109.5
Na4B—O5B—C17B131.56 (11)H20G—C20C—H20I109.5
Li3B—O5B—C17B122.28 (15)H20H—C20C—H20I109.5
Na2B—O6B—Na3B88.84 (5)O6C—C21C—C22C109.73 (14)
Na2B—O6B—Li4B83.26 (11)O6C—C21C—C23C110.32 (15)
Na2B—O6B—C21B129.01 (11)O6C—C21C—C24C110.14 (15)
Na3B—O6B—Li4B82.89 (10)C22C—C21C—C23C108.75 (17)
Na3B—O6B—C21B134.99 (11)C22C—C21C—C24C108.57 (16)
Li4B—O6B—C21B120.13 (14)C23C—C21C—C24C109.30 (16)
Na1B—O7B—Na2B79.27 (4)C21C—C22C—H22G109.5
Na1B—O7B—Li3B74.77 (11)C21C—C22C—H22H109.5
Na1B—O7B—Li4B124.68 (10)C21C—C22C—H22I109.5
Na1B—O7B—C25B110.74 (11)H22G—C22C—H22H109.5
Na2B—O7B—Li3B124.16 (10)H22G—C22C—H22I109.5
Na2B—O7B—Li4B75.96 (10)H22H—C22C—H22I109.5
Na2B—O7B—C25B113.26 (10)C21C—C23C—H23G109.5
Li3B—O7B—Li4B79.76 (14)C21C—C23C—H23H109.5
Li3B—O7B—C25B121.98 (14)C21C—C23C—H23I109.5
Li4B—O7B—C25B124.40 (15)H23G—C23C—H23H109.5
Na3B—O8B—Na4B82.11 (4)H23G—C23C—H23I109.5
Na3B—O8B—Li3B127.85 (11)H23H—C23C—H23I109.5
Na3B—O8B—Li4B77.69 (10)C21C—C24C—H24G109.5
Na3B—O8B—C29B111.93 (10)C21C—C24C—H24H109.5
Na4B—O8B—Li3B77.40 (10)C21C—C24C—H24I109.5
Na4B—O8B—Li4B128.77 (11)H24G—C24C—H24H109.5
Na4B—O8B—C29B110.91 (10)H24G—C24C—H24I109.5
Li3B—O8B—Li4B79.00 (13)H24H—C24C—H24I109.5
Li3B—O8B—C29B120.14 (14)O7C—C25C—C26C110.38 (14)
Li4B—O8B—C29B120.28 (14)O7C—C25C—C27C109.50 (14)
O1B—C1B—C2B109.24 (17)O7C—C25C—C28C110.44 (14)
O1B—C1B—C3B109.89 (18)C26C—C25C—C27C108.94 (16)
O1B—C1B—C4B110.12 (16)C26C—C25C—C28C108.40 (16)
C2B—C1B—C3B108.99 (19)C27C—C25C—C28C109.15 (15)
C2B—C1B—C4B109.02 (19)C25C—C26C—H26G109.5
C3B—C1B—C4B109.55 (19)C25C—C26C—H26H109.5
C1B—C2B—H2D109.5C25C—C26C—H26I109.5
C1B—C2B—H2E109.5H26G—C26C—H26H109.5
C1B—C2B—H2F109.5H26G—C26C—H26I109.5
H2D—C2B—H2E109.5H26H—C26C—H26I109.5
H2D—C2B—H2F109.5C25C—C27C—H27G109.5
H2E—C2B—H2F109.5C25C—C27C—H27H109.5
C1B—C3B—H3D109.5C25C—C27C—H27I109.5
C1B—C3B—H3E109.5H27G—C27C—H27H109.5
C1B—C3B—H3F109.5H27G—C27C—H27I109.5
H3D—C3B—H3E109.5H27H—C27C—H27I109.5
H3D—C3B—H3F109.5C25C—C28C—H28G109.5
H3E—C3B—H3F109.5C25C—C28C—H28H109.5
C1B—C4B—H4D109.5C25C—C28C—H28I109.5
C1B—C4B—H4E109.5H28G—C28C—H28H109.5
C1B—C4B—H4F109.5H28G—C28C—H28I109.5
H4D—C4B—H4E109.5H28H—C28C—H28I109.5
H4D—C4B—H4F109.5O8C—C29C—C30C110.24 (15)
H4E—C4B—H4F109.5O8C—C29C—C31C109.32 (15)
O2B—C5B—C6B109.88 (15)O8C—C29C—C32C110.43 (15)
O2B—C5B—C7B110.38 (15)C30C—C29C—C31C108.86 (17)
O2B—C5B—C8B110.21 (15)C30C—C29C—C32C108.64 (16)
C6B—C5B—C7B108.80 (16)C31C—C29C—C32C109.33 (17)
C6B—C5B—C8B109.34 (17)C29C—C30C—H30G109.5
C7B—C5B—C8B108.19 (16)C29C—C30C—H30H109.5
C5B—C6B—H6D109.5C29C—C30C—H30I109.5
C5B—C6B—H6E109.5H30G—C30C—H30H109.5
C5B—C6B—H6F109.5H30G—C30C—H30I109.5
H6D—C6B—H6E109.5H30H—C30C—H30I109.5
H6D—C6B—H6F109.5C29C—C31C—H31G109.5
H6E—C6B—H6F109.5C29C—C31C—H31H109.5
C5B—C7B—H7D109.5C29C—C31C—H31I109.5
C5B—C7B—H7E109.5H31G—C31C—H31H109.5
C5B—C7B—H7F109.5H31G—C31C—H31I109.5
H7D—C7B—H7E109.5H31H—C31C—H31I109.5
H7D—C7B—H7F109.5C29C—C32C—H32G109.5
H7E—C7B—H7F109.5C29C—C32C—H32H109.5
C5B—C8B—H8D109.5C29C—C32C—H32I109.5
C5B—C8B—H8E109.5H32G—C32C—H32H109.5
C5B—C8B—H8F109.5H32G—C32C—H32I109.5
H8D—C8B—H8E109.5H32H—C32C—H32I109.5

Experimental details

Crystal data
Chemical formula[Li4Na4(C4H9O)8]
Mr704.62
Crystal system, space groupTriclinic, P1
Temperature (K)160
a, b, c (Å)11.1917 (8), 21.0007 (14), 29.450 (2)
α, β, γ (°)82.560 (2), 89.492 (2), 82.033 (2)
V3)6796.8 (8)
Z6
Radiation typeMo Kα
µ (mm1)0.10
Crystal size (mm)0.82 × 0.80 × 0.80
Data collection
DiffractometerBruker SMART 1K CCD
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2002)
Tmin, Tmax0.890, 0.950
No. of measured, independent and
observed [I > 2σ(I)] reflections
32571, 22410, 15221
Rint0.017
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.036, 0.094, 0.92
No. of reflections22410
No. of parameters1370
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.18, 0.20

Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXTL (Sheldrick, 2001), SHELXTL and local programs.

Selected bond lengths (Å) top
Na1A—O1A2.5184 (13)Na4B—O5B2.3481 (13)
Na1A—O3A2.3200 (12)Na4B—O8B2.4916 (13)
Na1A—O5A2.3104 (12)Li1B—O1B1.890 (3)
Na1A—O7A2.5205 (13)Li1B—O2B1.902 (3)
Na2A—O2A2.5289 (13)Li1B—O4B1.824 (3)
Na2A—O3A2.3320 (13)Li2B—O1B1.903 (3)
Na2A—O6A2.3136 (13)Li2B—O2B1.895 (3)
Na2A—O7A2.5100 (12)Li2B—O3B1.828 (3)
Na3A—O2A2.5000 (13)Li3B—O5B1.828 (3)
Na3A—O4A2.3285 (13)Li3B—O7B1.897 (3)
Na3A—O6A2.3426 (13)Li3B—O8B1.907 (3)
Na3A—O8A2.5341 (12)Li4B—O6B1.827 (3)
Na4A—O1A2.5125 (13)Li4B—O7B1.892 (3)
Na4A—O4A2.3177 (13)Li4B—O8B1.913 (3)
Na4A—O5A2.3071 (13)Na1C—O1C2.5776 (13)
Na4A—O8A2.5151 (13)Na1C—O3C2.2890 (13)
Li1A—O1A1.897 (3)Na1C—O5C2.2704 (13)
Li1A—O2A1.906 (3)Na1C—O8C2.5882 (13)
Li1A—O3A1.839 (3)Na2C—O2C2.5332 (13)
Li2A—O1A1.887 (3)Na2C—O4C2.3113 (13)
Li2A—O2A1.892 (3)Na2C—O6C2.3137 (13)
Li2A—O4A1.846 (3)Na2C—O7C2.5628 (13)
Li3A—O5A1.843 (3)Na3C—O2C2.5041 (13)
Li3A—O7A1.896 (3)Na3C—O3C2.3574 (13)
Li3A—O8A1.895 (3)Na3C—O6C2.3526 (13)
Li4A—O6A1.834 (3)Na3C—O8C2.4887 (13)
Li4A—O7A1.898 (3)Na4C—O1C2.4985 (13)
Li4A—O8A1.896 (3)Na4C—O4C2.3276 (13)
Na1B—O1B2.5372 (14)Na4C—O5C2.3395 (13)
Na1B—O3B2.2895 (14)Na4C—O7C2.4934 (12)
Na1B—O5B2.3059 (14)Li1C—O1C1.893 (3)
Na1B—O7B2.6030 (15)Li1C—O2C1.908 (3)
Na2B—O2B2.5735 (13)Li1C—O3C1.833 (3)
Na2B—O3B2.3178 (14)Li2C—O1C1.893 (3)
Na2B—O6B2.3112 (14)Li2C—O2C1.899 (3)
Na2B—O7B2.5375 (14)Li2C—O4C1.824 (3)
Na3B—O2B2.4986 (13)Li3C—O5C1.836 (3)
Na3B—O4B2.3491 (13)Li3C—O7C1.896 (3)
Na3B—O6B2.3449 (13)Li3C—O8C1.893 (3)
Na3B—O8B2.4775 (13)Li4C—O6C1.827 (3)
Na4B—O1B2.4955 (13)Li4C—O7C1.898 (3)
Na4B—O4B2.3251 (13)Li4C—O8C1.901 (3)
 

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