Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Dichlorohexakis(diphenylphosphinoxy)bis(hydroxydiphenylphosphine)tetralithium(I)dizinc(II) toluene tetrasolvate

F. Dornhaus and M. Bolte

Molecules of the title compound, [Li₄Zn₂(C₁₂H₁₀OP)₆Cl₂(C₁₂H₁₁OP)₂]·4C₇H₈, are located on crystallographic centres of inversion with one half-molecule in the asymmetric unit.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049889/ng2158sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049889/ng2158Isup2.hkl Contains datablock I

CCDC reference: 630193

checkCIF report

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.009 Å
H-atom completeness 99%
Disorder in main residue
R factor = 0.065
wR factor = 0.189
Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       6.55 Ratio

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.

PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.70 Ratio

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.

PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C76

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.

PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C82

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.


Alert level B
PLAT223_ALERT_4_B Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       4.38 Ratio
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C81

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.

PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         P4
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C75
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C84
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        P4'
PLAT250_ALERT_2_B Large U3/U1 Ratio for Average U(i,j) Tensor ....       5.39
PLAT331_ALERT_2_B Small Average Phenyl C-C Dist.   C81    -C86           1.35 Ang.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT213_ALERT_2_C Atom C76     has ADP max/min Ratio .............       3.40 prola
PLAT213_ALERT_2_C Atom C82     has ADP max/min Ratio .............       4.00 prola
PLAT213_ALERT_2_C Atom C83     has ADP max/min Ratio .............       3.20 prola
PLAT214_ALERT_2_C Atom C104    (Anion/Solvent) ADP max/min Ratio         4.20 prola
PLAT214_ALERT_2_C Atom C107    (Anion/Solvent) ADP max/min Ratio         4.60 prola
PLAT221_ALERT_4_C Large Solvent/Anion  C     Ueq(max)/Ueq(min) ...       3.78 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C73

Author Response: The atom belongs to a phenyl ring which is bonded to a disordered P atom.

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C72
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C86
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C104
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C204
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C101
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C102
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C105
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C202
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C206
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C71    -   C72    ...       1.37 Ang.
PLAT731_ALERT_1_C Bond    Calc   1.453(15), Rep    1.454(7) ......       2.14 su-Ra
              C101 -C107    1.555   1.555
PLAT731_ALERT_1_C Bond    Calc   1.370(17), Rep    1.371(8) ......       2.12 su-Ra
              C103 -C104    1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.18 Deg.
              P4'  -C71  -P4      1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      41.15 Deg.
              P4   -C81  -P4'     1.555   1.555   1.555

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C124 H114 Cl2 Li4 O8 P8 Zn2
            Atom count from the _atom_site data:  C124 H112 Cl2 Li4 O8 P8 Zn2
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C124 H114 Cl2 Li4 O8 P8 Zn2
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        248.00    248.00    0.00
           H        228.00    224.00    4.00
           Cl         4.00      4.00    0.00
           Li         8.00      8.00    0.00
           O         16.00     16.00    0.00
           P         16.00     16.00    0.00
           Zn         4.00      4.00    0.00

   4 ALERT level A = In general: serious problem
   8 ALERT level B = Potentially serious problem
  26 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  22 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

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

Dichlorohexakis(diphenylphosphinoxy)bis(hydroxydiphenylphosphine)tetralithium(I)dizinc(II) toluene tetrasolvate top

Crystal data top

[Li₄Zn₂(C₁₂H₁₀OP)₆Cl₂(C₁₂H₁₁OP)₂]·4C₇H₈	F(000) = 2296
M_r = 2209.31	D_x = 1.305 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 40914 reflections
a = 13.3526 (7) Å	θ = 2.8–27.8°
b = 17.1279 (7) Å	µ = 0.65 mm⁻¹
c = 24.7049 (10) Å	T = 100 K
β = 95.570 (4)°	Block, colourless
V = 5623.4 (4) Å³	0.44 × 0.43 × 0.36 mm
Z = 2

Data collection top

Stoe IPDS-II two-circle diffractometer	13429 independent reflections
Radiation source: fine-focus sealed tube	9360 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.072
ω scans	θ_max = 27.9°, θ_min = 2.8°
Absorption correction: multi-scan (MULABS; Spek, 2003; Blessing, 1995)	h = −17→17
T_min = 0.765, T_max = 0.801	k = −22→22
88399 measured reflections	l = −32→32

Refinement top

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)] = 0.065	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.189	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.128P)²] where P = (F_o² + 2F_c²)/3
13429 reflections	(Δ/σ)_max = 0.001
677 parameters	Δρ_max = 1.08 e Å⁻³
30 restraints	Δρ_min = −0.85 e Å⁻³

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Zn1	0.53906 (3)	0.44746 (2)	0.351896 (14)	0.03031 (11)
Cl1	0.56734 (7)	0.44365 (5)	0.26416 (3)	0.0442 (2)
P1	0.63748 (6)	0.37087 (5)	0.41818 (3)	0.03156 (18)
O1	0.59955 (17)	0.38465 (13)	0.47436 (9)	0.0331 (5)
P2	0.56679 (6)	0.56839 (5)	0.39797 (3)	0.02888 (17)
O2	0.54062 (16)	0.55925 (12)	0.45743 (8)	0.0302 (4)
P3	0.37061 (6)	0.43019 (5)	0.37393 (3)	0.03346 (18)
O3	0.36753 (17)	0.43135 (14)	0.43628 (9)	0.0352 (5)
O4	0.4130 (2)	0.26056 (16)	0.48859 (12)	0.0531 (7)
P4	0.42549 (15)	0.18012 (10)	0.50540 (8)	0.0512 (6)	0.589 (4)
P4'	0.32787 (17)	0.20061 (12)	0.49107 (9)	0.0377 (7)	0.411 (4)
Li1	0.5902 (4)	0.4818 (3)	0.5143 (2)	0.0342 (11)
Li2	0.4570 (4)	0.3642 (3)	0.4840 (2)	0.0369 (11)
C11	0.6406 (3)	0.2663 (2)	0.40607 (14)	0.0393 (7)
C12	0.6292 (4)	0.2377 (3)	0.35370 (17)	0.0561 (10)
H12	0.6172	0.2726	0.3239	0.067*
C13	0.6353 (5)	0.1576 (3)	0.3445 (2)	0.0758 (15)
H13	0.6272	0.1382	0.3083	0.091*
C14	0.6527 (5)	0.1074 (3)	0.3863 (2)	0.0731 (15)
H14	0.6559	0.0529	0.3796	0.088*
C15	0.6660 (4)	0.1354 (3)	0.4399 (2)	0.0627 (12)
H15	0.6797	0.1002	0.4694	0.075*
C16	0.6591 (3)	0.2150 (2)	0.44955 (17)	0.0480 (8)
H16	0.6671	0.2344	0.4857	0.058*
C21	0.7718 (3)	0.3933 (2)	0.42571 (14)	0.0385 (7)
C22	0.8223 (3)	0.4010 (2)	0.47718 (16)	0.0460 (8)
H22	0.7862	0.3969	0.5084	0.055*
C23	0.9254 (3)	0.4148 (3)	0.48335 (19)	0.0574 (10)
H23	0.9598	0.4191	0.5188	0.069*
C24	0.9775 (3)	0.4223 (3)	0.4388 (2)	0.0650 (12)
H24	1.0480	0.4313	0.4432	0.078*
C25	0.9284 (4)	0.4170 (4)	0.3881 (2)	0.0778 (16)
H25	0.9647	0.4229	0.3571	0.093*
C26	0.8257 (3)	0.4029 (3)	0.38131 (18)	0.0601 (11)
H26	0.7920	0.3999	0.3457	0.072*
C31	0.6962 (2)	0.60306 (19)	0.39786 (13)	0.0333 (6)
C32	0.7437 (3)	0.5966 (3)	0.35041 (15)	0.0453 (8)
H32	0.7105	0.5710	0.3196	0.054*
C33	0.8395 (3)	0.6274 (3)	0.34773 (19)	0.0547 (10)
H33	0.8713	0.6241	0.3150	0.066*
C34	0.8878 (3)	0.6629 (2)	0.3933 (2)	0.0537 (10)
H34	0.9522	0.6857	0.3915	0.064*
C35	0.8437 (3)	0.6654 (3)	0.4410 (2)	0.0601 (11)
H35	0.8788	0.6880	0.4725	0.072*
C36	0.7473 (3)	0.6349 (3)	0.44372 (16)	0.0488 (9)
H36	0.7172	0.6361	0.4770	0.059*
C41	0.4946 (2)	0.65130 (19)	0.36910 (13)	0.0333 (6)
C42	0.4186 (3)	0.6841 (2)	0.39688 (14)	0.0381 (7)
H42	0.4060	0.6645	0.4315	0.046*
C43	0.3616 (3)	0.7456 (2)	0.37381 (17)	0.0476 (8)
H43	0.3093	0.7673	0.3925	0.057*
C44	0.3804 (3)	0.7753 (2)	0.32374 (17)	0.0507 (9)
H44	0.3417	0.8178	0.3084	0.061*
C45	0.4552 (3)	0.7434 (2)	0.29614 (16)	0.0493 (9)
H45	0.4684	0.7640	0.2618	0.059*
C46	0.5114 (3)	0.6811 (2)	0.31835 (15)	0.0435 (8)
H46	0.5619	0.6586	0.2987	0.052*
C51	0.3033 (3)	0.3444 (2)	0.34678 (15)	0.0427 (8)
C52	0.3246 (3)	0.3149 (3)	0.29659 (17)	0.0542 (10)
H52	0.3774	0.3370	0.2785	0.065*
C53	0.2686 (4)	0.2531 (3)	0.2730 (2)	0.0715 (14)
H53	0.2814	0.2342	0.2382	0.086*
C54	0.1949 (4)	0.2197 (4)	0.3002 (2)	0.0812 (17)
H54	0.1573	0.1771	0.2843	0.097*
C55	0.1746 (4)	0.2478 (4)	0.3510 (2)	0.0837 (19)
H55	0.1233	0.2244	0.3696	0.100*
C56	0.2295 (3)	0.3098 (3)	0.37415 (19)	0.0590 (11)
H56	0.2164	0.3287	0.4089	0.071*
C61	0.2831 (3)	0.5057 (2)	0.34724 (14)	0.0418 (8)
C62	0.2948 (3)	0.5452 (3)	0.29915 (16)	0.0502 (9)
H62	0.3495	0.5333	0.2786	0.060*
C63	0.2250 (4)	0.6028 (4)	0.2814 (2)	0.0714 (14)
H63	0.2327	0.6306	0.2488	0.086*
C64	0.1456 (4)	0.6193 (4)	0.3108 (3)	0.0857 (18)
H64	0.0987	0.6587	0.2986	0.103*
C65	0.1336 (4)	0.5789 (4)	0.3579 (3)	0.0794 (16)
H65	0.0774	0.5893	0.3776	0.095*
C66	0.2029 (3)	0.5239 (3)	0.37639 (19)	0.0573 (10)
H66	0.1958	0.4978	0.4097	0.069*
C71	0.3175 (5)	0.1579 (3)	0.55371 (19)	0.0826 (19)
C72	0.3775 (4)	0.1517 (3)	0.6018 (2)	0.0759 (15)
H72	0.4449	0.1695	0.6017	0.091*
C73	0.3507 (7)	0.1228 (4)	0.6496 (3)	0.109 (3)
H73	0.3984	0.1173	0.6805	0.131*
C74	0.2553 (6)	0.1027 (5)	0.6512 (3)	0.105 (3)
H74	0.2348	0.0807	0.6836	0.126*
C75	0.1870 (5)	0.1124 (4)	0.6085 (4)	0.101 (2)
H75	0.1184	0.1027	0.6132	0.121*
C76	0.2120 (6)	0.1371 (4)	0.5554 (4)	0.176 (6)
H76	0.1640	0.1395	0.5244	0.212*
C81	0.3873 (8)	0.1128 (3)	0.4500 (2)	0.127 (4)
C82	0.3826 (13)	0.0361 (4)	0.4634 (3)	0.218 (8)
H82	0.3787	0.0219	0.5003	0.262*
C83	0.3834 (10)	−0.0216 (4)	0.4243 (3)	0.148 (5)
H83	0.3807	−0.0751	0.4342	0.178*
C84	0.3881 (5)	−0.0013 (3)	0.3729 (2)	0.0754 (15)
H84	0.3859	−0.0403	0.3455	0.090*
C85	0.3959 (5)	0.0741 (3)	0.3594 (2)	0.0734 (14)
H85	0.4031	0.0878	0.3227	0.088*
C86	0.3938 (5)	0.1328 (3)	0.3984 (2)	0.0715 (14)
H86	0.3969	0.1862	0.3883	0.086*
C101	0.0839 (6)	0.8427 (6)	0.5149 (3)	0.161 (6)
C102	0.0943 (8)	0.9234 (5)	0.5056 (4)	0.133 (3)
H102	0.0935	0.9581	0.5356	0.159*
C103	0.1055 (14)	0.9538 (6)	0.4555 (5)	0.291 (16)
H103	0.1071	1.0087	0.4503	0.349*
C104	0.1145 (11)	0.9041 (6)	0.4128 (5)	0.45 (3)
H104	0.1266	0.9246	0.3783	0.537*
C105	0.1065 (6)	0.8269 (5)	0.4193 (3)	0.119 (3)
H105	0.1108	0.7940	0.3886	0.143*
C106	0.0918 (6)	0.7923 (4)	0.4698 (4)	0.143 (5)
H106	0.0875	0.7373	0.4735	0.172*
C107	0.0664 (8)	0.8160 (11)	0.5690 (5)	0.42 (2)
H10A	0.0372	0.8585	0.5889	0.626*
H10B	0.1304	0.7998	0.5886	0.626*
H10C	0.0198	0.7716	0.5661	0.626*
C201	0.9202 (6)	0.3736 (6)	0.2473 (4)	0.148 (4)
C202	1.0216 (5)	0.3953 (5)	0.2437 (3)	0.106 (3)
H202	1.0747	0.3591	0.2522	0.127*
C203	1.0407 (7)	0.4678 (6)	0.2280 (4)	0.141 (4)
H203	1.1086	0.4836	0.2267	0.170*
C204	0.9630 (7)	0.5216 (7)	0.2131 (6)	0.168 (5)
H204	0.9783	0.5714	0.1991	0.202*
C205	0.8654 (7)	0.5017 (5)	0.2192 (4)	0.146 (4)
H205	0.8133	0.5395	0.2148	0.175*
C206	0.8441 (5)	0.4239 (5)	0.2321 (3)	0.111 (3)
H206	0.7763	0.4065	0.2302	0.133*
C207	0.9017 (10)	0.2932 (5)	0.2654 (5)	0.200 (7)
H20A	0.8775	0.2946	0.3016	0.300*
H20B	0.9645	0.2632	0.2670	0.300*
H20C	0.8510	0.2684	0.2397	0.300*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Zn1	0.03004 (18)	0.0332 (2)	0.02834 (18)	−0.00128 (13)	0.00607 (13)	−0.00269 (13)
Cl1	0.0519 (5)	0.0512 (5)	0.0309 (4)	−0.0064 (4)	0.0120 (3)	−0.0079 (3)
P1	0.0328 (4)	0.0312 (4)	0.0317 (4)	0.0014 (3)	0.0081 (3)	−0.0011 (3)
O1	0.0370 (11)	0.0308 (11)	0.0324 (11)	0.0011 (8)	0.0082 (9)	−0.0017 (8)
P2	0.0298 (4)	0.0302 (4)	0.0271 (3)	−0.0015 (3)	0.0051 (3)	0.0000 (3)
O2	0.0349 (11)	0.0296 (11)	0.0267 (10)	−0.0014 (8)	0.0064 (8)	−0.0011 (8)
P3	0.0289 (4)	0.0415 (4)	0.0304 (4)	−0.0047 (3)	0.0052 (3)	−0.0068 (3)
O3	0.0323 (11)	0.0431 (13)	0.0308 (11)	−0.0067 (9)	0.0059 (8)	−0.0069 (9)
O4	0.0582 (17)	0.0349 (13)	0.0682 (18)	−0.0122 (12)	0.0158 (14)	−0.0081 (12)
P4	0.0602 (11)	0.0352 (9)	0.0629 (11)	−0.0127 (7)	0.0307 (9)	−0.0122 (7)
P4'	0.0410 (12)	0.0306 (11)	0.0422 (12)	−0.0023 (8)	0.0074 (8)	−0.0003 (8)
Li1	0.034 (3)	0.033 (3)	0.036 (3)	−0.001 (2)	0.007 (2)	−0.001 (2)
Li2	0.043 (3)	0.033 (3)	0.036 (3)	−0.007 (2)	0.011 (2)	−0.005 (2)
C11	0.0421 (17)	0.0336 (17)	0.0439 (18)	0.0023 (13)	0.0136 (14)	−0.0042 (13)
C12	0.078 (3)	0.046 (2)	0.047 (2)	0.0023 (19)	0.017 (2)	−0.0083 (17)
C13	0.113 (4)	0.049 (3)	0.069 (3)	0.001 (3)	0.028 (3)	−0.025 (2)
C14	0.093 (4)	0.033 (2)	0.098 (4)	0.003 (2)	0.035 (3)	−0.015 (2)
C15	0.072 (3)	0.039 (2)	0.081 (3)	0.0078 (19)	0.026 (2)	0.007 (2)
C16	0.055 (2)	0.0380 (19)	0.053 (2)	0.0010 (15)	0.0152 (17)	0.0017 (16)
C21	0.0361 (16)	0.0378 (17)	0.0428 (17)	0.0026 (13)	0.0097 (13)	0.0038 (13)
C22	0.0376 (18)	0.051 (2)	0.049 (2)	0.0001 (15)	0.0027 (15)	−0.0046 (16)
C23	0.0388 (19)	0.072 (3)	0.060 (3)	−0.0037 (19)	−0.0005 (17)	−0.004 (2)
C24	0.0340 (19)	0.087 (3)	0.074 (3)	−0.007 (2)	0.0062 (19)	−0.003 (3)
C25	0.043 (2)	0.129 (5)	0.065 (3)	−0.012 (3)	0.020 (2)	0.001 (3)
C26	0.040 (2)	0.094 (4)	0.048 (2)	−0.005 (2)	0.0113 (16)	0.007 (2)
C31	0.0310 (14)	0.0352 (16)	0.0340 (15)	0.0005 (12)	0.0054 (12)	0.0034 (12)
C32	0.0342 (17)	0.063 (2)	0.0391 (18)	−0.0035 (15)	0.0066 (14)	0.0035 (16)
C33	0.0355 (18)	0.071 (3)	0.060 (2)	0.0005 (17)	0.0158 (17)	0.014 (2)
C34	0.0283 (16)	0.048 (2)	0.085 (3)	−0.0034 (14)	0.0092 (17)	−0.001 (2)
C35	0.0356 (19)	0.067 (3)	0.076 (3)	−0.0073 (18)	0.0007 (18)	−0.026 (2)
C36	0.0360 (17)	0.064 (2)	0.047 (2)	−0.0077 (16)	0.0060 (15)	−0.0148 (17)
C41	0.0332 (15)	0.0327 (15)	0.0334 (15)	−0.0021 (12)	0.0008 (12)	0.0008 (12)
C42	0.0380 (16)	0.0350 (17)	0.0416 (17)	0.0014 (13)	0.0061 (13)	0.0017 (13)
C43	0.0414 (18)	0.043 (2)	0.059 (2)	0.0067 (15)	0.0032 (16)	0.0016 (16)
C44	0.048 (2)	0.044 (2)	0.058 (2)	0.0041 (16)	−0.0056 (17)	0.0118 (17)
C45	0.057 (2)	0.049 (2)	0.0402 (18)	0.0022 (17)	−0.0026 (16)	0.0119 (16)
C46	0.0456 (19)	0.047 (2)	0.0387 (18)	0.0011 (15)	0.0064 (14)	0.0066 (14)
C51	0.0378 (17)	0.051 (2)	0.0402 (17)	−0.0101 (15)	0.0068 (14)	−0.0117 (15)
C52	0.054 (2)	0.060 (3)	0.050 (2)	−0.0142 (19)	0.0134 (17)	−0.0205 (18)
C53	0.072 (3)	0.079 (3)	0.064 (3)	−0.022 (3)	0.012 (2)	−0.036 (3)
C54	0.080 (4)	0.079 (4)	0.086 (4)	−0.038 (3)	0.018 (3)	−0.041 (3)
C55	0.074 (3)	0.094 (4)	0.087 (4)	−0.049 (3)	0.030 (3)	−0.037 (3)
C56	0.056 (2)	0.066 (3)	0.058 (2)	−0.025 (2)	0.0198 (19)	−0.022 (2)
C61	0.0308 (15)	0.055 (2)	0.0390 (17)	−0.0022 (14)	0.0002 (13)	−0.0082 (15)
C62	0.0379 (18)	0.066 (3)	0.046 (2)	0.0074 (17)	−0.0015 (15)	−0.0008 (17)
C63	0.057 (3)	0.088 (4)	0.066 (3)	0.016 (2)	−0.007 (2)	0.015 (3)
C64	0.056 (3)	0.108 (5)	0.091 (4)	0.037 (3)	−0.007 (3)	0.000 (3)
C65	0.046 (2)	0.109 (4)	0.085 (4)	0.031 (3)	0.011 (2)	−0.002 (3)
C66	0.0399 (19)	0.077 (3)	0.057 (2)	0.0073 (19)	0.0112 (17)	−0.006 (2)
C71	0.155 (6)	0.041 (2)	0.051 (3)	−0.032 (3)	0.008 (3)	−0.0062 (19)
C72	0.082 (4)	0.065 (3)	0.084 (4)	−0.020 (3)	0.024 (3)	−0.018 (3)
C73	0.167 (8)	0.084 (5)	0.079 (4)	−0.015 (5)	0.028 (5)	−0.021 (3)
C74	0.114 (6)	0.091 (5)	0.120 (6)	−0.013 (4)	0.061 (5)	−0.035 (4)
C75	0.068 (4)	0.066 (4)	0.170 (8)	−0.006 (3)	0.021 (5)	0.005 (4)
C76	0.205 (11)	0.040 (3)	0.254 (14)	0.028 (5)	−0.126 (11)	−0.020 (5)
C81	0.272 (11)	0.055 (3)	0.062 (3)	−0.072 (5)	0.063 (5)	−0.022 (3)
C82	0.53 (3)	0.067 (4)	0.074 (4)	−0.126 (9)	0.111 (9)	−0.026 (3)
C83	0.323 (14)	0.050 (3)	0.083 (4)	−0.065 (6)	0.078 (6)	−0.021 (3)
C84	0.102 (4)	0.061 (3)	0.068 (3)	−0.021 (3)	0.029 (3)	−0.026 (2)
C85	0.086 (4)	0.073 (3)	0.064 (3)	−0.003 (3)	0.023 (3)	−0.021 (2)
C86	0.101 (4)	0.051 (3)	0.066 (3)	−0.014 (3)	0.029 (3)	−0.015 (2)
C101	0.065 (4)	0.287 (18)	0.130 (8)	−0.019 (8)	0.015 (5)	0.084 (9)
C102	0.120 (7)	0.112 (7)	0.167 (10)	0.011 (6)	0.015 (7)	−0.021 (7)
C103	0.164 (15)	0.56 (5)	0.147 (12)	0.08 (2)	0.030 (10)	0.13 (2)
C104	0.091 (8)	0.32 (2)	0.95 (7)	0.055 (12)	0.13 (2)	0.46 (4)
C105	0.068 (4)	0.161 (9)	0.128 (7)	0.012 (5)	0.007 (4)	0.024 (6)
C106	0.068 (4)	0.077 (5)	0.274 (14)	−0.008 (3)	−0.042 (7)	0.041 (7)
C107	0.073 (7)	0.79 (5)	0.40 (3)	0.058 (15)	0.089 (11)	0.39 (3)
C201	0.122 (7)	0.211 (12)	0.111 (7)	0.029 (8)	0.010 (5)	−0.075 (7)
C202	0.071 (4)	0.147 (8)	0.101 (5)	−0.015 (4)	0.019 (4)	−0.048 (5)
C203	0.071 (5)	0.213 (12)	0.142 (8)	0.003 (7)	0.022 (5)	−0.046 (8)
C204	0.105 (8)	0.153 (10)	0.243 (14)	−0.031 (7)	−0.005 (8)	0.000 (9)
C205	0.114 (7)	0.131 (8)	0.184 (10)	0.021 (6)	−0.029 (7)	−0.043 (7)
C206	0.061 (4)	0.143 (7)	0.129 (6)	−0.026 (4)	0.012 (4)	−0.058 (6)
C207	0.32 (2)	0.103 (8)	0.184 (12)	−0.071 (10)	0.056 (12)	−0.062 (8)

Geometric parameters (Å, º) top

Zn1—Cl1	2.2370 (9)	C51—C56	1.381 (5)
Zn1—P2	2.3751 (9)	C51—C52	1.394 (5)
Zn1—P3	2.3833 (9)	C52—C53	1.390 (6)
Zn1—P1	2.3899 (9)	C52—H52	0.9500
P1—O1	1.541 (2)	C53—C54	1.370 (8)
P1—C11	1.817 (4)	C53—H53	0.9500
P1—C21	1.826 (4)	C54—C55	1.395 (7)
O1—Li1	1.945 (6)	C54—H54	0.9500
O1—Li2	1.972 (6)	C55—C56	1.382 (6)
P2—O2	1.550 (2)	C55—H55	0.9500
P2—C41	1.822 (3)	C56—H56	0.9500
P2—C31	1.827 (3)	C61—C66	1.383 (5)
O2—Li2ⁱ	1.951 (6)	C61—C62	1.390 (6)
O2—Li1	1.996 (6)	C62—C63	1.398 (6)
O2—Li1ⁱ	2.067 (6)	C62—H62	0.9500
P3—O3	1.545 (2)	C63—C64	1.371 (8)
P3—C51	1.817 (4)	C63—H63	0.9500
P3—C61	1.823 (4)	C64—C65	1.377 (9)
O3—Li2	1.966 (7)	C64—H64	0.9500
O3—Li1ⁱ	1.972 (6)	C65—C66	1.367 (7)
O4—P4	1.444 (3)	C65—H65	0.9500
O4—P4'	1.537 (3)	C66—H66	0.9500
O4—Li2	1.876 (6)	C71—C72	1.370 (7)
P4—C81	1.824 (6)	C71—C76	1.458 (8)
P4—C71	1.995 (7)	C72—C73	1.360 (7)
P4'—C71	1.729 (5)	C72—H72	0.9500
P4'—C81	2.019 (8)	C73—C74	1.324 (8)
Li1—O3ⁱ	1.972 (6)	C73—H73	0.9500
Li1—O2ⁱ	2.067 (6)	C74—C75	1.337 (8)
Li2—O2ⁱ	1.951 (6)	C74—H74	0.9500
C11—C12	1.378 (5)	C75—C76	1.447 (8)
C11—C16	1.391 (5)	C75—H75	0.9500
C12—C13	1.394 (6)	C76—H76	0.9500
C12—H12	0.9500	C81—C86	1.330 (8)
C13—C14	1.348 (8)	C81—C82	1.358 (9)
C13—H13	0.9500	C82—C83	1.383 (9)
C14—C15	1.402 (8)	C82—H82	0.9500
C14—H14	0.9500	C83—C84	1.323 (9)
C15—C16	1.389 (6)	C83—H83	0.9500
C15—H15	0.9500	C84—C85	1.340 (8)
C16—H16	0.9500	C84—H84	0.9500
C21—C26	1.379 (5)	C85—C86	1.394 (7)
C21—C22	1.386 (5)	C85—H85	0.9500
C22—C23	1.391 (5)	C86—H86	0.9500
C22—H22	0.9500	C101—C102	1.409 (8)
C23—C24	1.364 (7)	C101—C106	1.421 (7)
C23—H23	0.9500	C101—C107	1.454 (7)
C24—C25	1.360 (7)	C102—C103	1.364 (8)
C24—H24	0.9500	C102—H102	0.9500
C25—C26	1.387 (6)	C103—C104	1.371 (8)
C25—H25	0.9500	C103—H103	0.9500
C26—H26	0.9500	C104—C105	1.337 (8)
C31—C36	1.377 (5)	C104—H104	0.9500
C31—C32	1.391 (5)	C105—C106	1.412 (7)
C32—C33	1.391 (5)	C105—H105	0.9500
C32—H32	0.9500	C106—H106	0.9500
C33—C34	1.384 (7)	C107—H10A	0.9800
C33—H33	0.9500	C107—H10B	0.9800
C34—C35	1.368 (7)	C107—H10C	0.9800
C34—H34	0.9500	C201—C206	1.358 (7)
C35—C36	1.396 (5)	C201—C202	1.415 (8)
C35—H35	0.9500	C201—C207	1.476 (8)
C36—H36	0.9500	C202—C203	1.333 (8)
C41—C46	1.392 (5)	C202—H202	0.9500
C41—C42	1.398 (5)	C203—C204	1.409 (9)
C42—C43	1.388 (5)	C203—H203	0.9500
C42—H42	0.9500	C204—C205	1.370 (8)
C43—C44	1.383 (6)	C204—H204	0.9500
C43—H43	0.9500	C205—C206	1.405 (8)
C44—C45	1.377 (6)	C205—H205	0.9500
C44—H44	0.9500	C206—H206	0.9500
C45—C46	1.386 (5)	C207—H20A	0.9800
C45—H45	0.9500	C207—H20B	0.9800
C46—H46	0.9500	C207—H20C	0.9800

Cl1—Zn1—P2	117.17 (3)	C41—C46—H46	119.6
Cl1—Zn1—P3	118.00 (3)	C56—C51—C52	119.8 (4)
P2—Zn1—P3	96.06 (3)	C56—C51—P3	121.2 (3)
Cl1—Zn1—P1	120.96 (3)	C52—C51—P3	119.0 (3)
P2—Zn1—P1	95.77 (3)	C53—C52—C51	120.1 (4)
P3—Zn1—P1	104.11 (3)	C53—C52—H52	119.9
O1—P1—C11	108.30 (14)	C51—C52—H52	119.9
O1—P1—C21	106.35 (15)	C54—C53—C52	119.6 (4)
C11—P1—C21	100.71 (16)	C54—C53—H53	120.2
O1—P1—Zn1	109.03 (9)	C52—C53—H53	120.2
C11—P1—Zn1	116.62 (12)	C53—C54—C55	120.6 (4)
C21—P1—Zn1	115.09 (12)	C53—C54—H54	119.7
P1—O1—Li1	129.1 (2)	C55—C54—H54	119.7
P1—O1—Li2	119.1 (2)	C56—C55—C54	119.7 (5)
Li1—O1—Li2	88.9 (2)	C56—C55—H55	120.1
O2—P2—C41	106.88 (14)	C54—C55—H55	120.1
O2—P2—C31	109.53 (13)	C51—C56—C55	120.1 (4)
C41—P2—C31	102.14 (15)	C51—C56—H56	120.0
O2—P2—Zn1	109.08 (9)	C55—C56—H56	120.0
C41—P2—Zn1	116.11 (10)	C66—C61—C62	119.5 (4)
C31—P2—Zn1	112.72 (11)	C66—C61—P3	118.3 (3)
P2—O2—Li2ⁱ	130.2 (2)	C62—C61—P3	122.2 (3)
P2—O2—Li1	130.1 (2)	C61—C62—C63	119.0 (4)
Li2ⁱ—O2—Li1	86.8 (2)	C61—C62—H62	120.5
P2—O2—Li1ⁱ	129.1 (2)	C63—C62—H62	120.5
Li2ⁱ—O2—Li1ⁱ	86.1 (2)	C64—C63—C62	120.4 (5)
Li1—O2—Li1ⁱ	76.6 (2)	C64—C63—H63	119.8
O3—P3—C51	108.55 (15)	C62—C63—H63	119.8
O3—P3—C61	105.86 (15)	C63—C64—C65	120.2 (5)
C51—P3—C61	99.39 (17)	C63—C64—H64	119.9
O3—P3—Zn1	110.07 (9)	C65—C64—H64	119.9
C51—P3—Zn1	117.42 (12)	C66—C65—C64	119.8 (5)
C61—P3—Zn1	114.56 (12)	C66—C65—H65	120.1
P3—O3—Li2	121.1 (2)	C64—C65—H65	120.1
P3—O3—Li1ⁱ	126.4 (2)	C65—C66—C61	121.0 (5)
Li2—O3—Li1ⁱ	87.1 (2)	C65—C66—H66	119.5
P4—O4—P4'	54.30 (15)	C61—C66—H66	119.5
P4—O4—Li2	153.1 (3)	C72—C71—C76	116.2 (6)
P4'—O4—Li2	150.6 (3)	C72—C71—P4'	135.9 (5)
O4—P4—C81	111.8 (3)	C76—C71—P4'	106.9 (5)
O4—P4—C71	106.5 (2)	C72—C71—P4	97.9 (5)
C81—P4—C71	99.4 (3)	C76—C71—P4	145.1 (5)
O4—P4'—C71	116.2 (3)	P4'—C71—P4	42.18 (17)
O4—P4'—C81	98.6 (3)	C73—C72—C71	126.9 (6)
C71—P4'—C81	101.8 (3)	C73—C72—H72	116.6
O1—Li1—O3ⁱ	158.5 (3)	C71—C72—H72	116.6
O1—Li1—O2	104.2 (3)	C74—C73—C72	117.1 (8)
O3ⁱ—Li1—O2	89.5 (2)	C74—C73—H73	121.5
O1—Li1—O2ⁱ	88.7 (2)	C72—C73—H73	121.5
O3ⁱ—Li1—O2ⁱ	104.3 (3)	C73—C74—C75	121.9 (8)
O2—Li1—O2ⁱ	103.4 (2)	C73—C74—H74	119.0
O4—Li2—O2ⁱ	125.0 (3)	C75—C74—H74	119.0
O4—Li2—O3	114.5 (3)	C74—C75—C76	123.5 (7)
O2ⁱ—Li2—O3	90.9 (3)	C74—C75—H75	118.2
O4—Li2—O1	119.1 (3)	C76—C75—H75	118.2
O2ⁱ—Li2—O1	91.3 (2)	C75—C76—C71	114.0 (6)
O3—Li2—O1	111.2 (3)	C75—C76—H76	123.0
C12—C11—C16	119.7 (3)	C71—C76—H76	123.0
C12—C11—P1	120.2 (3)	C86—C81—C82	119.5 (5)
C16—C11—P1	120.0 (3)	C86—C81—P4	121.2 (4)
C11—C12—C13	120.0 (4)	C82—C81—P4	116.3 (6)
C11—C12—H12	120.0	C86—C81—P4'	110.8 (5)
C13—C12—H12	120.0	C82—C81—P4'	124.6 (6)
C14—C13—C12	120.7 (5)	P4—C81—P4'	41.15 (16)
C14—C13—H13	119.6	C81—C82—C83	121.0 (6)
C12—C13—H13	119.6	C81—C82—H82	119.5
C13—C14—C15	120.1 (4)	C83—C82—H82	119.5
C13—C14—H14	119.9	C84—C83—C82	119.2 (6)
C15—C14—H14	119.9	C84—C83—H83	120.4
C16—C15—C14	119.6 (4)	C82—C83—H83	120.4
C16—C15—H15	120.2	C83—C84—C85	120.3 (5)
C14—C15—H15	120.2	C83—C84—H84	119.9
C15—C16—C11	119.8 (4)	C85—C84—H84	119.9
C15—C16—H16	120.1	C84—C85—C86	121.0 (5)
C11—C16—H16	120.1	C84—C85—H85	119.5
C26—C21—C22	118.3 (4)	C86—C85—H85	119.5
C26—C21—P1	121.8 (3)	C81—C86—C85	119.0 (5)
C22—C21—P1	119.9 (3)	C81—C86—H86	120.5
C21—C22—C23	120.3 (4)	C85—C86—H86	120.5
C21—C22—H22	119.9	C102—C101—C106	116.9 (5)
C23—C22—H22	119.9	C102—C101—C107	119.1 (8)
C24—C23—C22	120.3 (4)	C106—C101—C107	124.1 (8)
C24—C23—H23	119.9	C103—C102—C101	122.9 (6)
C22—C23—H23	119.9	C103—C102—H102	118.6
C25—C24—C23	120.0 (4)	C101—C102—H102	118.6
C25—C24—H24	120.0	C102—C103—C104	119.1 (7)
C23—C24—H24	120.0	C102—C103—H103	120.4
C24—C25—C26	120.3 (4)	C104—C103—H103	120.4
C24—C25—H25	119.8	C105—C104—C103	120.5 (7)
C26—C25—H25	119.8	C105—C104—H104	119.7
C21—C26—C25	120.8 (4)	C103—C104—H104	119.7
C21—C26—H26	119.6	C104—C105—C106	122.7 (6)
C25—C26—H26	119.6	C104—C105—H105	118.7
C36—C31—C32	119.6 (3)	C106—C105—H105	118.7
C36—C31—P2	121.4 (3)	C105—C106—C101	117.7 (6)
C32—C31—P2	119.0 (3)	C105—C106—H106	121.1
C31—C32—C33	120.5 (4)	C101—C106—H106	121.1
C31—C32—H32	119.8	C101—C107—H10A	109.5
C33—C32—H32	119.8	C101—C107—H10B	109.5
C34—C33—C32	119.1 (4)	H10A—C107—H10B	109.5
C34—C33—H33	120.4	C101—C107—H10C	109.5
C32—C33—H33	120.4	H10A—C107—H10C	109.5
C35—C34—C33	120.6 (4)	H10B—C107—H10C	109.5
C35—C34—H34	119.7	C206—C201—C202	120.7 (8)
C33—C34—H34	119.7	C206—C201—C207	122.2 (7)
C34—C35—C36	120.3 (4)	C202—C201—C207	116.9 (7)
C34—C35—H35	119.8	C203—C202—C201	118.3 (9)
C36—C35—H35	119.8	C203—C202—H202	120.8
C31—C36—C35	119.7 (4)	C201—C202—H202	120.8
C31—C36—H36	120.2	C202—C203—C204	121.9 (9)
C35—C36—H36	120.2	C202—C203—H203	119.0
C46—C41—C42	118.9 (3)	C204—C203—H203	119.0
C46—C41—P2	120.9 (3)	C205—C204—C203	119.5 (10)
C42—C41—P2	120.2 (2)	C205—C204—H204	120.3
C43—C42—C41	119.9 (3)	C203—C204—H204	120.3
C43—C42—H42	120.0	C204—C205—C206	118.5 (9)
C41—C42—H42	120.0	C204—C205—H205	120.7
C44—C43—C42	120.4 (4)	C206—C205—H205	120.7
C44—C43—H43	119.8	C201—C206—C205	120.1 (7)
C42—C43—H43	119.8	C201—C206—H206	120.0
C45—C44—C43	120.0 (4)	C205—C206—H206	120.0
C45—C44—H44	120.0	C201—C207—H20A	109.5
C43—C44—H44	120.0	C201—C207—H20B	109.5
C44—C45—C46	120.1 (4)	H20A—C207—H20B	109.5
C44—C45—H45	120.0	C201—C207—H20C	109.5
C46—C45—H45	120.0	H20A—C207—H20C	109.5
C45—C46—C41	120.7 (4)	H20B—C207—H20C	109.5
C45—C46—H46	119.6

Cl1—Zn1—P1—O1	−179.08 (10)	O2—P2—C31—C36	−15.8 (4)
P2—Zn1—P1—O1	54.34 (10)	C41—P2—C31—C36	97.2 (3)
P3—Zn1—P1—O1	−43.41 (10)	Zn1—P2—C31—C36	−137.4 (3)
Cl1—Zn1—P1—C11	−56.10 (13)	O2—P2—C31—C32	163.8 (3)
P2—Zn1—P1—C11	177.32 (13)	C41—P2—C31—C32	−83.1 (3)
P3—Zn1—P1—C11	79.58 (13)	Zn1—P2—C31—C32	42.2 (3)
Cl1—Zn1—P1—C21	61.56 (13)	C36—C31—C32—C33	−5.0 (6)
P2—Zn1—P1—C21	−65.02 (13)	P2—C31—C32—C33	175.4 (3)
P3—Zn1—P1—C21	−162.76 (13)	C31—C32—C33—C34	1.5 (6)
C11—P1—O1—Li1	173.9 (3)	C32—C33—C34—C35	2.3 (7)
C21—P1—O1—Li1	66.4 (3)	C33—C34—C35—C36	−2.6 (7)
Zn1—P1—O1—Li1	−58.2 (3)	C32—C31—C36—C35	4.6 (6)
C11—P1—O1—Li2	−71.0 (3)	P2—C31—C36—C35	−175.8 (3)
C21—P1—O1—Li2	−178.5 (2)	C34—C35—C36—C31	−0.8 (7)
Zn1—P1—O1—Li2	56.9 (2)	O2—P2—C41—C46	171.5 (3)
Cl1—Zn1—P2—O2	178.64 (9)	C31—P2—C41—C46	56.5 (3)
P3—Zn1—P2—O2	52.83 (10)	Zn1—P2—C41—C46	−66.6 (3)
P1—Zn1—P2—O2	−52.08 (10)	O2—P2—C41—C42	−11.0 (3)
Cl1—Zn1—P2—C41	57.86 (13)	C31—P2—C41—C42	−126.0 (3)
P3—Zn1—P2—C41	−67.95 (12)	Zn1—P2—C41—C42	111.0 (3)
P1—Zn1—P2—C41	−172.85 (12)	C46—C41—C42—C43	−0.2 (5)
Cl1—Zn1—P2—C31	−59.46 (12)	P2—C41—C42—C43	−177.8 (3)
P3—Zn1—P2—C31	174.72 (11)	C41—C42—C43—C44	−0.9 (6)
P1—Zn1—P2—C31	69.82 (11)	C42—C43—C44—C45	0.8 (6)
C41—P2—O2—Li2ⁱ	−51.9 (3)	C43—C44—C45—C46	0.3 (6)
C31—P2—O2—Li2ⁱ	58.0 (3)	C44—C45—C46—C41	−1.4 (6)
Zn1—P2—O2—Li2ⁱ	−178.1 (3)	C42—C41—C46—C45	1.3 (5)
C41—P2—O2—Li1	−179.9 (3)	P2—C41—C46—C45	178.9 (3)
C31—P2—O2—Li1	−70.0 (3)	O3—P3—C51—C56	24.8 (4)
Zn1—P2—O2—Li1	53.8 (3)	C61—P3—C51—C56	−85.5 (4)
C41—P2—O2—Li1ⁱ	73.0 (3)	Zn1—P3—C51—C56	150.4 (3)
C31—P2—O2—Li1ⁱ	−177.1 (3)	O3—P3—C51—C52	−157.3 (3)
Zn1—P2—O2—Li1ⁱ	−53.3 (3)	C61—P3—C51—C52	92.4 (4)
Cl1—Zn1—P3—O3	177.68 (10)	Zn1—P3—C51—C52	−31.7 (4)
P2—Zn1—P3—O3	−57.12 (11)	C56—C51—C52—C53	3.0 (7)
P1—Zn1—P3—O3	40.41 (11)	P3—C51—C52—C53	−174.9 (4)
Cl1—Zn1—P3—C51	52.85 (15)	C51—C52—C53—C54	−2.3 (9)
P2—Zn1—P3—C51	178.06 (15)	C52—C53—C54—C55	0.9 (10)
P1—Zn1—P3—C51	−84.42 (15)	C53—C54—C55—C56	−0.1 (11)
Cl1—Zn1—P3—C61	−63.20 (13)	C52—C51—C56—C55	−2.2 (8)
P2—Zn1—P3—C61	62.01 (13)	P3—C51—C56—C55	175.7 (5)
P1—Zn1—P3—C61	159.54 (13)	C54—C55—C56—C51	0.8 (10)
C51—P3—O3—Li2	78.2 (3)	O3—P3—C61—C66	−28.0 (4)
C61—P3—O3—Li2	−175.9 (2)	C51—P3—C61—C66	84.5 (3)
Zn1—P3—O3—Li2	−51.6 (2)	Zn1—P3—C61—C66	−149.4 (3)
C51—P3—O3—Li1ⁱ	−170.0 (3)	O3—P3—C61—C62	151.7 (3)
C61—P3—O3—Li1ⁱ	−64.1 (3)	C51—P3—C61—C62	−95.8 (3)
Zn1—P3—O3—Li1ⁱ	60.2 (3)	Zn1—P3—C61—C62	30.3 (4)
P4'—O4—P4—C81	64.1 (4)	C66—C61—C62—C63	0.1 (6)
Li2—O4—P4—C81	−133.2 (7)	P3—C61—C62—C63	−179.6 (4)
P4'—O4—P4—C71	−43.4 (2)	C61—C62—C63—C64	−0.7 (8)
Li2—O4—P4—C71	119.3 (6)	C62—C63—C64—C65	−0.3 (10)
P4—O4—P4'—C71	58.0 (3)	C63—C64—C65—C66	2.0 (10)
Li2—O4—P4'—C71	−106.1 (6)	C64—C65—C66—C61	−2.6 (9)
P4—O4—P4'—C81	−49.7 (3)	C62—C61—C66—C65	1.5 (7)
Li2—O4—P4'—C81	146.1 (6)	P3—C61—C66—C65	−178.8 (4)
P1—O1—Li1—O3ⁱ	−87.5 (9)	O4—P4'—C71—C72	−15.3 (8)
Li2—O1—Li1—O3ⁱ	144.9 (9)	C81—P4'—C71—C72	90.5 (7)
P1—O1—Li1—O2	40.7 (4)	O4—P4'—C71—C76	151.8 (4)
Li2—O1—Li1—O2	−87.0 (3)	C81—P4'—C71—C76	−102.4 (5)
P1—O1—Li1—O2ⁱ	144.1 (2)	O4—P4'—C71—P4	−47.9 (2)
Li2—O1—Li1—O2ⁱ	16.4 (2)	C81—P4'—C71—P4	57.9 (3)
P2—O2—Li1—O1	−38.2 (4)	O4—P4—C71—C72	−110.0 (4)
Li2ⁱ—O2—Li1—O1	178.8 (3)	C81—P4—C71—C72	133.8 (4)
Li1ⁱ—O2—Li1—O1	92.1 (3)	O4—P4—C71—C76	82.0 (8)
P2—O2—Li1—O3ⁱ	125.1 (2)	C81—P4—C71—C76	−34.2 (9)
Li2ⁱ—O2—Li1—O3ⁱ	−17.9 (2)	O4—P4—C71—P4'	47.7 (2)
Li1ⁱ—O2—Li1—O3ⁱ	−104.6 (3)	C81—P4—C71—P4'	−68.5 (4)
P2—O2—Li1—O2ⁱ	−130.3 (2)	C76—C71—C72—C73	5.3 (9)
Li2ⁱ—O2—Li1—O2ⁱ	86.7 (3)	P4'—C71—C72—C73	171.5 (6)
Li1ⁱ—O2—Li1—O2ⁱ	0.0	P4—C71—C72—C73	−167.0 (6)
P4—O4—Li2—O2ⁱ	−78.1 (7)	C71—C72—C73—C74	−4.4 (11)
P4'—O4—Li2—O2ⁱ	72.5 (7)	C72—C73—C74—C75	−2.1 (11)
P4—O4—Li2—O3	172.0 (4)	C73—C74—C75—C76	7.2 (12)
P4'—O4—Li2—O3	−37.5 (7)	C74—C75—C76—C71	−5.7 (10)
P4—O4—Li2—O1	36.9 (8)	C72—C71—C76—C75	−0.3 (8)
P4'—O4—Li2—O1	−172.5 (4)	P4'—C71—C76—C75	−170.3 (5)
P3—O3—Li2—O4	−80.6 (3)	P4—C71—C76—C75	166.4 (6)
Li1ⁱ—O3—Li2—O4	147.8 (3)	O4—P4—C81—C86	28.8 (10)
P3—O3—Li2—O2ⁱ	149.75 (18)	C71—P4—C81—C86	140.9 (8)
Li1ⁱ—O3—Li2—O2ⁱ	18.2 (2)	O4—P4—C81—C82	−171.0 (10)
P3—O3—Li2—O1	57.9 (3)	C71—P4—C81—C82	−58.9 (11)
Li1ⁱ—O3—Li2—O1	−73.6 (3)	O4—P4—C81—P4'	−57.7 (2)
P1—O1—Li2—O4	75.2 (4)	C71—P4—C81—P4'	54.4 (2)
Li1—O1—Li2—O4	−149.5 (4)	O4—P4'—C81—C86	−65.7 (7)
P1—O1—Li2—O2ⁱ	−152.76 (18)	C71—P4'—C81—C86	175.1 (6)
Li1—O1—Li2—O2ⁱ	−17.4 (3)	O4—P4'—C81—C82	139.9 (11)
P1—O1—Li2—O3	−61.2 (3)	C71—P4'—C81—C82	20.7 (12)
Li1—O1—Li2—O3	74.1 (3)	O4—P4'—C81—P4	48.2 (2)
O1—P1—C11—C12	152.2 (3)	C71—P4'—C81—P4	−71.0 (3)
C21—P1—C11—C12	−96.4 (4)	C86—C81—C82—C83	−1 (2)
Zn1—P1—C11—C12	28.9 (4)	P4—C81—C82—C83	−161.2 (12)
O1—P1—C11—C16	−30.8 (3)	P4'—C81—C82—C83	151.6 (11)
C21—P1—C11—C16	80.6 (3)	C81—C82—C83—C84	−1 (2)
Zn1—P1—C11—C16	−154.1 (3)	C82—C83—C84—C85	2.6 (17)
C16—C11—C12—C13	0.6 (7)	C83—C84—C85—C86	−3.6 (12)
P1—C11—C12—C13	177.6 (4)	C82—C81—C86—C85	−0.2 (15)
C11—C12—C13—C14	−0.2 (9)	P4—C81—C86—C85	159.3 (6)
C12—C13—C14—C15	−0.8 (9)	P4'—C81—C86—C85	−156.1 (5)
C13—C14—C15—C16	1.3 (8)	C84—C85—C86—C81	2.4 (11)
C14—C15—C16—C11	−0.9 (7)	C106—C101—C102—C103	3.9 (17)
C12—C11—C16—C15	0.0 (6)	C107—C101—C102—C103	−176.4 (12)
P1—C11—C16—C15	−177.1 (3)	C101—C102—C103—C104	−5 (2)
O1—P1—C21—C26	−166.3 (4)	C102—C103—C104—C105	4 (3)
C11—P1—C21—C26	80.9 (4)	C103—C104—C105—C106	−2 (2)
Zn1—P1—C21—C26	−45.4 (4)	C104—C105—C106—C101	1.1 (13)
O1—P1—C21—C22	13.7 (3)	C102—C101—C106—C105	−1.8 (12)
C11—P1—C21—C22	−99.2 (3)	C107—C101—C106—C105	178.5 (8)
Zn1—P1—C21—C22	134.5 (3)	C206—C201—C202—C203	3.8 (13)
C26—C21—C22—C23	−2.7 (6)	C207—C201—C202—C203	−179.3 (9)
P1—C21—C22—C23	177.3 (3)	C201—C202—C203—C204	−2.4 (15)
C21—C22—C23—C24	1.2 (7)	C202—C203—C204—C205	5.5 (19)
C22—C23—C24—C25	0.6 (9)	C203—C204—C205—C206	−9.7 (18)
C23—C24—C25—C26	−0.8 (10)	C202—C201—C206—C205	−8.3 (13)
C22—C21—C26—C25	2.5 (7)	C207—C201—C206—C205	175.1 (9)
P1—C21—C26—C25	−177.5 (5)	C204—C205—C206—C201	11.2 (15)
C24—C25—C26—C21	−0.8 (10)

Symmetry code: (i) −x+1, −y+1, −z+1.

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