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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.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049889/ng2158sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049889/ng2158Isup2.hkl
Contains datablock I

CCDC reference: 630193

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](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]·4C7H8F(000) = 2296
Mr = 2209.31Dx = 1.305 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 40914 reflections
a = 13.3526 (7) Åθ = 2.8–27.8°
b = 17.1279 (7) ŵ = 0.65 mm1
c = 24.7049 (10) ÅT = 100 K
β = 95.570 (4)°Block, colourless
V = 5623.4 (4) Å30.44 × 0.43 × 0.36 mm
Z = 2
Data collection top
Stoe IPDS-II two-circle
diffractometer
13429 independent reflections
Radiation source: fine-focus sealed tube9360 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.072
ω scansθmax = 27.9°, θmin = 2.8°
Absorption correction: multi-scan
(MULABS; Spek, 2003; Blessing, 1995)
h = 1717
Tmin = 0.765, Tmax = 0.801k = 2222
88399 measured reflectionsl = 3232
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.065Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.189H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.128P)2]
where P = (Fo2 + 2Fc2)/3
13429 reflections(Δ/σ)max = 0.001
677 parametersΔρmax = 1.08 e Å3
30 restraintsΔρmin = 0.85 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn10.53906 (3)0.44746 (2)0.351896 (14)0.03031 (11)
Cl10.56734 (7)0.44365 (5)0.26416 (3)0.0442 (2)
P10.63748 (6)0.37087 (5)0.41818 (3)0.03156 (18)
O10.59955 (17)0.38465 (13)0.47436 (9)0.0331 (5)
P20.56679 (6)0.56839 (5)0.39797 (3)0.02888 (17)
O20.54062 (16)0.55925 (12)0.45743 (8)0.0302 (4)
P30.37061 (6)0.43019 (5)0.37393 (3)0.03346 (18)
O30.36753 (17)0.43135 (14)0.43628 (9)0.0352 (5)
O40.4130 (2)0.26056 (16)0.48859 (12)0.0531 (7)
P40.42549 (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)
Li10.5902 (4)0.4818 (3)0.5143 (2)0.0342 (11)
Li20.4570 (4)0.3642 (3)0.4840 (2)0.0369 (11)
C110.6406 (3)0.2663 (2)0.40607 (14)0.0393 (7)
C120.6292 (4)0.2377 (3)0.35370 (17)0.0561 (10)
H120.61720.27260.32390.067*
C130.6353 (5)0.1576 (3)0.3445 (2)0.0758 (15)
H130.62720.13820.30830.091*
C140.6527 (5)0.1074 (3)0.3863 (2)0.0731 (15)
H140.65590.05290.37960.088*
C150.6660 (4)0.1354 (3)0.4399 (2)0.0627 (12)
H150.67970.10020.46940.075*
C160.6591 (3)0.2150 (2)0.44955 (17)0.0480 (8)
H160.66710.23440.48570.058*
C210.7718 (3)0.3933 (2)0.42571 (14)0.0385 (7)
C220.8223 (3)0.4010 (2)0.47718 (16)0.0460 (8)
H220.78620.39690.50840.055*
C230.9254 (3)0.4148 (3)0.48335 (19)0.0574 (10)
H230.95980.41910.51880.069*
C240.9775 (3)0.4223 (3)0.4388 (2)0.0650 (12)
H241.04800.43130.44320.078*
C250.9284 (4)0.4170 (4)0.3881 (2)0.0778 (16)
H250.96470.42290.35710.093*
C260.8257 (3)0.4029 (3)0.38131 (18)0.0601 (11)
H260.79200.39990.34570.072*
C310.6962 (2)0.60306 (19)0.39786 (13)0.0333 (6)
C320.7437 (3)0.5966 (3)0.35041 (15)0.0453 (8)
H320.71050.57100.31960.054*
C330.8395 (3)0.6274 (3)0.34773 (19)0.0547 (10)
H330.87130.62410.31500.066*
C340.8878 (3)0.6629 (2)0.3933 (2)0.0537 (10)
H340.95220.68570.39150.064*
C350.8437 (3)0.6654 (3)0.4410 (2)0.0601 (11)
H350.87880.68800.47250.072*
C360.7473 (3)0.6349 (3)0.44372 (16)0.0488 (9)
H360.71720.63610.47700.059*
C410.4946 (2)0.65130 (19)0.36910 (13)0.0333 (6)
C420.4186 (3)0.6841 (2)0.39688 (14)0.0381 (7)
H420.40600.66450.43150.046*
C430.3616 (3)0.7456 (2)0.37381 (17)0.0476 (8)
H430.30930.76730.39250.057*
C440.3804 (3)0.7753 (2)0.32374 (17)0.0507 (9)
H440.34170.81780.30840.061*
C450.4552 (3)0.7434 (2)0.29614 (16)0.0493 (9)
H450.46840.76400.26180.059*
C460.5114 (3)0.6811 (2)0.31835 (15)0.0435 (8)
H460.56190.65860.29870.052*
C510.3033 (3)0.3444 (2)0.34678 (15)0.0427 (8)
C520.3246 (3)0.3149 (3)0.29659 (17)0.0542 (10)
H520.37740.33700.27850.065*
C530.2686 (4)0.2531 (3)0.2730 (2)0.0715 (14)
H530.28140.23420.23820.086*
C540.1949 (4)0.2197 (4)0.3002 (2)0.0812 (17)
H540.15730.17710.28430.097*
C550.1746 (4)0.2478 (4)0.3510 (2)0.0837 (19)
H550.12330.22440.36960.100*
C560.2295 (3)0.3098 (3)0.37415 (19)0.0590 (11)
H560.21640.32870.40890.071*
C610.2831 (3)0.5057 (2)0.34724 (14)0.0418 (8)
C620.2948 (3)0.5452 (3)0.29915 (16)0.0502 (9)
H620.34950.53330.27860.060*
C630.2250 (4)0.6028 (4)0.2814 (2)0.0714 (14)
H630.23270.63060.24880.086*
C640.1456 (4)0.6193 (4)0.3108 (3)0.0857 (18)
H640.09870.65870.29860.103*
C650.1336 (4)0.5789 (4)0.3579 (3)0.0794 (16)
H650.07740.58930.37760.095*
C660.2029 (3)0.5239 (3)0.37639 (19)0.0573 (10)
H660.19580.49780.40970.069*
C710.3175 (5)0.1579 (3)0.55371 (19)0.0826 (19)
C720.3775 (4)0.1517 (3)0.6018 (2)0.0759 (15)
H720.44490.16950.60170.091*
C730.3507 (7)0.1228 (4)0.6496 (3)0.109 (3)
H730.39840.11730.68050.131*
C740.2553 (6)0.1027 (5)0.6512 (3)0.105 (3)
H740.23480.08070.68360.126*
C750.1870 (5)0.1124 (4)0.6085 (4)0.101 (2)
H750.11840.10270.61320.121*
C760.2120 (6)0.1371 (4)0.5554 (4)0.176 (6)
H760.16400.13950.52440.212*
C810.3873 (8)0.1128 (3)0.4500 (2)0.127 (4)
C820.3826 (13)0.0361 (4)0.4634 (3)0.218 (8)
H820.37870.02190.50030.262*
C830.3834 (10)0.0216 (4)0.4243 (3)0.148 (5)
H830.38070.07510.43420.178*
C840.3881 (5)0.0013 (3)0.3729 (2)0.0754 (15)
H840.38590.04030.34550.090*
C850.3959 (5)0.0741 (3)0.3594 (2)0.0734 (14)
H850.40310.08780.32270.088*
C860.3938 (5)0.1328 (3)0.3984 (2)0.0715 (14)
H860.39690.18620.38830.086*
C1010.0839 (6)0.8427 (6)0.5149 (3)0.161 (6)
C1020.0943 (8)0.9234 (5)0.5056 (4)0.133 (3)
H1020.09350.95810.53560.159*
C1030.1055 (14)0.9538 (6)0.4555 (5)0.291 (16)
H1030.10711.00870.45030.349*
C1040.1145 (11)0.9041 (6)0.4128 (5)0.45 (3)
H1040.12660.92460.37830.537*
C1050.1065 (6)0.8269 (5)0.4193 (3)0.119 (3)
H1050.11080.79400.38860.143*
C1060.0918 (6)0.7923 (4)0.4698 (4)0.143 (5)
H1060.08750.73730.47350.172*
C1070.0664 (8)0.8160 (11)0.5690 (5)0.42 (2)
H10A0.03720.85850.58890.626*
H10B0.13040.79980.58860.626*
H10C0.01980.77160.56610.626*
C2010.9202 (6)0.3736 (6)0.2473 (4)0.148 (4)
C2021.0216 (5)0.3953 (5)0.2437 (3)0.106 (3)
H2021.07470.35910.25220.127*
C2031.0407 (7)0.4678 (6)0.2280 (4)0.141 (4)
H2031.10860.48360.22670.170*
C2040.9630 (7)0.5216 (7)0.2131 (6)0.168 (5)
H2040.97830.57140.19910.202*
C2050.8654 (7)0.5017 (5)0.2192 (4)0.146 (4)
H2050.81330.53950.21480.175*
C2060.8441 (5)0.4239 (5)0.2321 (3)0.111 (3)
H2060.77630.40650.23020.133*
C2070.9017 (10)0.2932 (5)0.2654 (5)0.200 (7)
H20A0.87750.29460.30160.300*
H20B0.96450.26320.26700.300*
H20C0.85100.26840.23970.300*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.03004 (18)0.0332 (2)0.02834 (18)0.00128 (13)0.00607 (13)0.00269 (13)
Cl10.0519 (5)0.0512 (5)0.0309 (4)0.0064 (4)0.0120 (3)0.0079 (3)
P10.0328 (4)0.0312 (4)0.0317 (4)0.0014 (3)0.0081 (3)0.0011 (3)
O10.0370 (11)0.0308 (11)0.0324 (11)0.0011 (8)0.0082 (9)0.0017 (8)
P20.0298 (4)0.0302 (4)0.0271 (3)0.0015 (3)0.0051 (3)0.0000 (3)
O20.0349 (11)0.0296 (11)0.0267 (10)0.0014 (8)0.0064 (8)0.0011 (8)
P30.0289 (4)0.0415 (4)0.0304 (4)0.0047 (3)0.0052 (3)0.0068 (3)
O30.0323 (11)0.0431 (13)0.0308 (11)0.0067 (9)0.0059 (8)0.0069 (9)
O40.0582 (17)0.0349 (13)0.0682 (18)0.0122 (12)0.0158 (14)0.0081 (12)
P40.0602 (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)
Li10.034 (3)0.033 (3)0.036 (3)0.001 (2)0.007 (2)0.001 (2)
Li20.043 (3)0.033 (3)0.036 (3)0.007 (2)0.011 (2)0.005 (2)
C110.0421 (17)0.0336 (17)0.0439 (18)0.0023 (13)0.0136 (14)0.0042 (13)
C120.078 (3)0.046 (2)0.047 (2)0.0023 (19)0.017 (2)0.0083 (17)
C130.113 (4)0.049 (3)0.069 (3)0.001 (3)0.028 (3)0.025 (2)
C140.093 (4)0.033 (2)0.098 (4)0.003 (2)0.035 (3)0.015 (2)
C150.072 (3)0.039 (2)0.081 (3)0.0078 (19)0.026 (2)0.007 (2)
C160.055 (2)0.0380 (19)0.053 (2)0.0010 (15)0.0152 (17)0.0017 (16)
C210.0361 (16)0.0378 (17)0.0428 (17)0.0026 (13)0.0097 (13)0.0038 (13)
C220.0376 (18)0.051 (2)0.049 (2)0.0001 (15)0.0027 (15)0.0046 (16)
C230.0388 (19)0.072 (3)0.060 (3)0.0037 (19)0.0005 (17)0.004 (2)
C240.0340 (19)0.087 (3)0.074 (3)0.007 (2)0.0062 (19)0.003 (3)
C250.043 (2)0.129 (5)0.065 (3)0.012 (3)0.020 (2)0.001 (3)
C260.040 (2)0.094 (4)0.048 (2)0.005 (2)0.0113 (16)0.007 (2)
C310.0310 (14)0.0352 (16)0.0340 (15)0.0005 (12)0.0054 (12)0.0034 (12)
C320.0342 (17)0.063 (2)0.0391 (18)0.0035 (15)0.0066 (14)0.0035 (16)
C330.0355 (18)0.071 (3)0.060 (2)0.0005 (17)0.0158 (17)0.014 (2)
C340.0283 (16)0.048 (2)0.085 (3)0.0034 (14)0.0092 (17)0.001 (2)
C350.0356 (19)0.067 (3)0.076 (3)0.0073 (18)0.0007 (18)0.026 (2)
C360.0360 (17)0.064 (2)0.047 (2)0.0077 (16)0.0060 (15)0.0148 (17)
C410.0332 (15)0.0327 (15)0.0334 (15)0.0021 (12)0.0008 (12)0.0008 (12)
C420.0380 (16)0.0350 (17)0.0416 (17)0.0014 (13)0.0061 (13)0.0017 (13)
C430.0414 (18)0.043 (2)0.059 (2)0.0067 (15)0.0032 (16)0.0016 (16)
C440.048 (2)0.044 (2)0.058 (2)0.0041 (16)0.0056 (17)0.0118 (17)
C450.057 (2)0.049 (2)0.0402 (18)0.0022 (17)0.0026 (16)0.0119 (16)
C460.0456 (19)0.047 (2)0.0387 (18)0.0011 (15)0.0064 (14)0.0066 (14)
C510.0378 (17)0.051 (2)0.0402 (17)0.0101 (15)0.0068 (14)0.0117 (15)
C520.054 (2)0.060 (3)0.050 (2)0.0142 (19)0.0134 (17)0.0205 (18)
C530.072 (3)0.079 (3)0.064 (3)0.022 (3)0.012 (2)0.036 (3)
C540.080 (4)0.079 (4)0.086 (4)0.038 (3)0.018 (3)0.041 (3)
C550.074 (3)0.094 (4)0.087 (4)0.049 (3)0.030 (3)0.037 (3)
C560.056 (2)0.066 (3)0.058 (2)0.025 (2)0.0198 (19)0.022 (2)
C610.0308 (15)0.055 (2)0.0390 (17)0.0022 (14)0.0002 (13)0.0082 (15)
C620.0379 (18)0.066 (3)0.046 (2)0.0074 (17)0.0015 (15)0.0008 (17)
C630.057 (3)0.088 (4)0.066 (3)0.016 (2)0.007 (2)0.015 (3)
C640.056 (3)0.108 (5)0.091 (4)0.037 (3)0.007 (3)0.000 (3)
C650.046 (2)0.109 (4)0.085 (4)0.031 (3)0.011 (2)0.002 (3)
C660.0399 (19)0.077 (3)0.057 (2)0.0073 (19)0.0112 (17)0.006 (2)
C710.155 (6)0.041 (2)0.051 (3)0.032 (3)0.008 (3)0.0062 (19)
C720.082 (4)0.065 (3)0.084 (4)0.020 (3)0.024 (3)0.018 (3)
C730.167 (8)0.084 (5)0.079 (4)0.015 (5)0.028 (5)0.021 (3)
C740.114 (6)0.091 (5)0.120 (6)0.013 (4)0.061 (5)0.035 (4)
C750.068 (4)0.066 (4)0.170 (8)0.006 (3)0.021 (5)0.005 (4)
C760.205 (11)0.040 (3)0.254 (14)0.028 (5)0.126 (11)0.020 (5)
C810.272 (11)0.055 (3)0.062 (3)0.072 (5)0.063 (5)0.022 (3)
C820.53 (3)0.067 (4)0.074 (4)0.126 (9)0.111 (9)0.026 (3)
C830.323 (14)0.050 (3)0.083 (4)0.065 (6)0.078 (6)0.021 (3)
C840.102 (4)0.061 (3)0.068 (3)0.021 (3)0.029 (3)0.026 (2)
C850.086 (4)0.073 (3)0.064 (3)0.003 (3)0.023 (3)0.021 (2)
C860.101 (4)0.051 (3)0.066 (3)0.014 (3)0.029 (3)0.015 (2)
C1010.065 (4)0.287 (18)0.130 (8)0.019 (8)0.015 (5)0.084 (9)
C1020.120 (7)0.112 (7)0.167 (10)0.011 (6)0.015 (7)0.021 (7)
C1030.164 (15)0.56 (5)0.147 (12)0.08 (2)0.030 (10)0.13 (2)
C1040.091 (8)0.32 (2)0.95 (7)0.055 (12)0.13 (2)0.46 (4)
C1050.068 (4)0.161 (9)0.128 (7)0.012 (5)0.007 (4)0.024 (6)
C1060.068 (4)0.077 (5)0.274 (14)0.008 (3)0.042 (7)0.041 (7)
C1070.073 (7)0.79 (5)0.40 (3)0.058 (15)0.089 (11)0.39 (3)
C2010.122 (7)0.211 (12)0.111 (7)0.029 (8)0.010 (5)0.075 (7)
C2020.071 (4)0.147 (8)0.101 (5)0.015 (4)0.019 (4)0.048 (5)
C2030.071 (5)0.213 (12)0.142 (8)0.003 (7)0.022 (5)0.046 (8)
C2040.105 (8)0.153 (10)0.243 (14)0.031 (7)0.005 (8)0.000 (9)
C2050.114 (7)0.131 (8)0.184 (10)0.021 (6)0.029 (7)0.043 (7)
C2060.061 (4)0.143 (7)0.129 (6)0.026 (4)0.012 (4)0.058 (6)
C2070.32 (2)0.103 (8)0.184 (12)0.071 (10)0.056 (12)0.062 (8)
Geometric parameters (Å, º) top
Zn1—Cl12.2370 (9)C51—C561.381 (5)
Zn1—P22.3751 (9)C51—C521.394 (5)
Zn1—P32.3833 (9)C52—C531.390 (6)
Zn1—P12.3899 (9)C52—H520.9500
P1—O11.541 (2)C53—C541.370 (8)
P1—C111.817 (4)C53—H530.9500
P1—C211.826 (4)C54—C551.395 (7)
O1—Li11.945 (6)C54—H540.9500
O1—Li21.972 (6)C55—C561.382 (6)
P2—O21.550 (2)C55—H550.9500
P2—C411.822 (3)C56—H560.9500
P2—C311.827 (3)C61—C661.383 (5)
O2—Li2i1.951 (6)C61—C621.390 (6)
O2—Li11.996 (6)C62—C631.398 (6)
O2—Li1i2.067 (6)C62—H620.9500
P3—O31.545 (2)C63—C641.371 (8)
P3—C511.817 (4)C63—H630.9500
P3—C611.823 (4)C64—C651.377 (9)
O3—Li21.966 (7)C64—H640.9500
O3—Li1i1.972 (6)C65—C661.367 (7)
O4—P41.444 (3)C65—H650.9500
O4—P4'1.537 (3)C66—H660.9500
O4—Li21.876 (6)C71—C721.370 (7)
P4—C811.824 (6)C71—C761.458 (8)
P4—C711.995 (7)C72—C731.360 (7)
P4'—C711.729 (5)C72—H720.9500
P4'—C812.019 (8)C73—C741.324 (8)
Li1—O3i1.972 (6)C73—H730.9500
Li1—O2i2.067 (6)C74—C751.337 (8)
Li2—O2i1.951 (6)C74—H740.9500
C11—C121.378 (5)C75—C761.447 (8)
C11—C161.391 (5)C75—H750.9500
C12—C131.394 (6)C76—H760.9500
C12—H120.9500C81—C861.330 (8)
C13—C141.348 (8)C81—C821.358 (9)
C13—H130.9500C82—C831.383 (9)
C14—C151.402 (8)C82—H820.9500
C14—H140.9500C83—C841.323 (9)
C15—C161.389 (6)C83—H830.9500
C15—H150.9500C84—C851.340 (8)
C16—H160.9500C84—H840.9500
C21—C261.379 (5)C85—C861.394 (7)
C21—C221.386 (5)C85—H850.9500
C22—C231.391 (5)C86—H860.9500
C22—H220.9500C101—C1021.409 (8)
C23—C241.364 (7)C101—C1061.421 (7)
C23—H230.9500C101—C1071.454 (7)
C24—C251.360 (7)C102—C1031.364 (8)
C24—H240.9500C102—H1020.9500
C25—C261.387 (6)C103—C1041.371 (8)
C25—H250.9500C103—H1030.9500
C26—H260.9500C104—C1051.337 (8)
C31—C361.377 (5)C104—H1040.9500
C31—C321.391 (5)C105—C1061.412 (7)
C32—C331.391 (5)C105—H1050.9500
C32—H320.9500C106—H1060.9500
C33—C341.384 (7)C107—H10A0.9800
C33—H330.9500C107—H10B0.9800
C34—C351.368 (7)C107—H10C0.9800
C34—H340.9500C201—C2061.358 (7)
C35—C361.396 (5)C201—C2021.415 (8)
C35—H350.9500C201—C2071.476 (8)
C36—H360.9500C202—C2031.333 (8)
C41—C461.392 (5)C202—H2020.9500
C41—C421.398 (5)C203—C2041.409 (9)
C42—C431.388 (5)C203—H2030.9500
C42—H420.9500C204—C2051.370 (8)
C43—C441.383 (6)C204—H2040.9500
C43—H430.9500C205—C2061.405 (8)
C44—C451.377 (6)C205—H2050.9500
C44—H440.9500C206—H2060.9500
C45—C461.386 (5)C207—H20A0.9800
C45—H450.9500C207—H20B0.9800
C46—H460.9500C207—H20C0.9800
Cl1—Zn1—P2117.17 (3)C41—C46—H46119.6
Cl1—Zn1—P3118.00 (3)C56—C51—C52119.8 (4)
P2—Zn1—P396.06 (3)C56—C51—P3121.2 (3)
Cl1—Zn1—P1120.96 (3)C52—C51—P3119.0 (3)
P2—Zn1—P195.77 (3)C53—C52—C51120.1 (4)
P3—Zn1—P1104.11 (3)C53—C52—H52119.9
O1—P1—C11108.30 (14)C51—C52—H52119.9
O1—P1—C21106.35 (15)C54—C53—C52119.6 (4)
C11—P1—C21100.71 (16)C54—C53—H53120.2
O1—P1—Zn1109.03 (9)C52—C53—H53120.2
C11—P1—Zn1116.62 (12)C53—C54—C55120.6 (4)
C21—P1—Zn1115.09 (12)C53—C54—H54119.7
P1—O1—Li1129.1 (2)C55—C54—H54119.7
P1—O1—Li2119.1 (2)C56—C55—C54119.7 (5)
Li1—O1—Li288.9 (2)C56—C55—H55120.1
O2—P2—C41106.88 (14)C54—C55—H55120.1
O2—P2—C31109.53 (13)C51—C56—C55120.1 (4)
C41—P2—C31102.14 (15)C51—C56—H56120.0
O2—P2—Zn1109.08 (9)C55—C56—H56120.0
C41—P2—Zn1116.11 (10)C66—C61—C62119.5 (4)
C31—P2—Zn1112.72 (11)C66—C61—P3118.3 (3)
P2—O2—Li2i130.2 (2)C62—C61—P3122.2 (3)
P2—O2—Li1130.1 (2)C61—C62—C63119.0 (4)
Li2i—O2—Li186.8 (2)C61—C62—H62120.5
P2—O2—Li1i129.1 (2)C63—C62—H62120.5
Li2i—O2—Li1i86.1 (2)C64—C63—C62120.4 (5)
Li1—O2—Li1i76.6 (2)C64—C63—H63119.8
O3—P3—C51108.55 (15)C62—C63—H63119.8
O3—P3—C61105.86 (15)C63—C64—C65120.2 (5)
C51—P3—C6199.39 (17)C63—C64—H64119.9
O3—P3—Zn1110.07 (9)C65—C64—H64119.9
C51—P3—Zn1117.42 (12)C66—C65—C64119.8 (5)
C61—P3—Zn1114.56 (12)C66—C65—H65120.1
P3—O3—Li2121.1 (2)C64—C65—H65120.1
P3—O3—Li1i126.4 (2)C65—C66—C61121.0 (5)
Li2—O3—Li1i87.1 (2)C65—C66—H66119.5
P4—O4—P4'54.30 (15)C61—C66—H66119.5
P4—O4—Li2153.1 (3)C72—C71—C76116.2 (6)
P4'—O4—Li2150.6 (3)C72—C71—P4'135.9 (5)
O4—P4—C81111.8 (3)C76—C71—P4'106.9 (5)
O4—P4—C71106.5 (2)C72—C71—P497.9 (5)
C81—P4—C7199.4 (3)C76—C71—P4145.1 (5)
O4—P4'—C71116.2 (3)P4'—C71—P442.18 (17)
O4—P4'—C8198.6 (3)C73—C72—C71126.9 (6)
C71—P4'—C81101.8 (3)C73—C72—H72116.6
O1—Li1—O3i158.5 (3)C71—C72—H72116.6
O1—Li1—O2104.2 (3)C74—C73—C72117.1 (8)
O3i—Li1—O289.5 (2)C74—C73—H73121.5
O1—Li1—O2i88.7 (2)C72—C73—H73121.5
O3i—Li1—O2i104.3 (3)C73—C74—C75121.9 (8)
O2—Li1—O2i103.4 (2)C73—C74—H74119.0
O4—Li2—O2i125.0 (3)C75—C74—H74119.0
O4—Li2—O3114.5 (3)C74—C75—C76123.5 (7)
O2i—Li2—O390.9 (3)C74—C75—H75118.2
O4—Li2—O1119.1 (3)C76—C75—H75118.2
O2i—Li2—O191.3 (2)C75—C76—C71114.0 (6)
O3—Li2—O1111.2 (3)C75—C76—H76123.0
C12—C11—C16119.7 (3)C71—C76—H76123.0
C12—C11—P1120.2 (3)C86—C81—C82119.5 (5)
C16—C11—P1120.0 (3)C86—C81—P4121.2 (4)
C11—C12—C13120.0 (4)C82—C81—P4116.3 (6)
C11—C12—H12120.0C86—C81—P4'110.8 (5)
C13—C12—H12120.0C82—C81—P4'124.6 (6)
C14—C13—C12120.7 (5)P4—C81—P4'41.15 (16)
C14—C13—H13119.6C81—C82—C83121.0 (6)
C12—C13—H13119.6C81—C82—H82119.5
C13—C14—C15120.1 (4)C83—C82—H82119.5
C13—C14—H14119.9C84—C83—C82119.2 (6)
C15—C14—H14119.9C84—C83—H83120.4
C16—C15—C14119.6 (4)C82—C83—H83120.4
C16—C15—H15120.2C83—C84—C85120.3 (5)
C14—C15—H15120.2C83—C84—H84119.9
C15—C16—C11119.8 (4)C85—C84—H84119.9
C15—C16—H16120.1C84—C85—C86121.0 (5)
C11—C16—H16120.1C84—C85—H85119.5
C26—C21—C22118.3 (4)C86—C85—H85119.5
C26—C21—P1121.8 (3)C81—C86—C85119.0 (5)
C22—C21—P1119.9 (3)C81—C86—H86120.5
C21—C22—C23120.3 (4)C85—C86—H86120.5
C21—C22—H22119.9C102—C101—C106116.9 (5)
C23—C22—H22119.9C102—C101—C107119.1 (8)
C24—C23—C22120.3 (4)C106—C101—C107124.1 (8)
C24—C23—H23119.9C103—C102—C101122.9 (6)
C22—C23—H23119.9C103—C102—H102118.6
C25—C24—C23120.0 (4)C101—C102—H102118.6
C25—C24—H24120.0C102—C103—C104119.1 (7)
C23—C24—H24120.0C102—C103—H103120.4
C24—C25—C26120.3 (4)C104—C103—H103120.4
C24—C25—H25119.8C105—C104—C103120.5 (7)
C26—C25—H25119.8C105—C104—H104119.7
C21—C26—C25120.8 (4)C103—C104—H104119.7
C21—C26—H26119.6C104—C105—C106122.7 (6)
C25—C26—H26119.6C104—C105—H105118.7
C36—C31—C32119.6 (3)C106—C105—H105118.7
C36—C31—P2121.4 (3)C105—C106—C101117.7 (6)
C32—C31—P2119.0 (3)C105—C106—H106121.1
C31—C32—C33120.5 (4)C101—C106—H106121.1
C31—C32—H32119.8C101—C107—H10A109.5
C33—C32—H32119.8C101—C107—H10B109.5
C34—C33—C32119.1 (4)H10A—C107—H10B109.5
C34—C33—H33120.4C101—C107—H10C109.5
C32—C33—H33120.4H10A—C107—H10C109.5
C35—C34—C33120.6 (4)H10B—C107—H10C109.5
C35—C34—H34119.7C206—C201—C202120.7 (8)
C33—C34—H34119.7C206—C201—C207122.2 (7)
C34—C35—C36120.3 (4)C202—C201—C207116.9 (7)
C34—C35—H35119.8C203—C202—C201118.3 (9)
C36—C35—H35119.8C203—C202—H202120.8
C31—C36—C35119.7 (4)C201—C202—H202120.8
C31—C36—H36120.2C202—C203—C204121.9 (9)
C35—C36—H36120.2C202—C203—H203119.0
C46—C41—C42118.9 (3)C204—C203—H203119.0
C46—C41—P2120.9 (3)C205—C204—C203119.5 (10)
C42—C41—P2120.2 (2)C205—C204—H204120.3
C43—C42—C41119.9 (3)C203—C204—H204120.3
C43—C42—H42120.0C204—C205—C206118.5 (9)
C41—C42—H42120.0C204—C205—H205120.7
C44—C43—C42120.4 (4)C206—C205—H205120.7
C44—C43—H43119.8C201—C206—C205120.1 (7)
C42—C43—H43119.8C201—C206—H206120.0
C45—C44—C43120.0 (4)C205—C206—H206120.0
C45—C44—H44120.0C201—C207—H20A109.5
C43—C44—H44120.0C201—C207—H20B109.5
C44—C45—C46120.1 (4)H20A—C207—H20B109.5
C44—C45—H45120.0C201—C207—H20C109.5
C46—C45—H45120.0H20A—C207—H20C109.5
C45—C46—C41120.7 (4)H20B—C207—H20C109.5
C45—C46—H46119.6
Cl1—Zn1—P1—O1179.08 (10)O2—P2—C31—C3615.8 (4)
P2—Zn1—P1—O154.34 (10)C41—P2—C31—C3697.2 (3)
P3—Zn1—P1—O143.41 (10)Zn1—P2—C31—C36137.4 (3)
Cl1—Zn1—P1—C1156.10 (13)O2—P2—C31—C32163.8 (3)
P2—Zn1—P1—C11177.32 (13)C41—P2—C31—C3283.1 (3)
P3—Zn1—P1—C1179.58 (13)Zn1—P2—C31—C3242.2 (3)
Cl1—Zn1—P1—C2161.56 (13)C36—C31—C32—C335.0 (6)
P2—Zn1—P1—C2165.02 (13)P2—C31—C32—C33175.4 (3)
P3—Zn1—P1—C21162.76 (13)C31—C32—C33—C341.5 (6)
C11—P1—O1—Li1173.9 (3)C32—C33—C34—C352.3 (7)
C21—P1—O1—Li166.4 (3)C33—C34—C35—C362.6 (7)
Zn1—P1—O1—Li158.2 (3)C32—C31—C36—C354.6 (6)
C11—P1—O1—Li271.0 (3)P2—C31—C36—C35175.8 (3)
C21—P1—O1—Li2178.5 (2)C34—C35—C36—C310.8 (7)
Zn1—P1—O1—Li256.9 (2)O2—P2—C41—C46171.5 (3)
Cl1—Zn1—P2—O2178.64 (9)C31—P2—C41—C4656.5 (3)
P3—Zn1—P2—O252.83 (10)Zn1—P2—C41—C4666.6 (3)
P1—Zn1—P2—O252.08 (10)O2—P2—C41—C4211.0 (3)
Cl1—Zn1—P2—C4157.86 (13)C31—P2—C41—C42126.0 (3)
P3—Zn1—P2—C4167.95 (12)Zn1—P2—C41—C42111.0 (3)
P1—Zn1—P2—C41172.85 (12)C46—C41—C42—C430.2 (5)
Cl1—Zn1—P2—C3159.46 (12)P2—C41—C42—C43177.8 (3)
P3—Zn1—P2—C31174.72 (11)C41—C42—C43—C440.9 (6)
P1—Zn1—P2—C3169.82 (11)C42—C43—C44—C450.8 (6)
C41—P2—O2—Li2i51.9 (3)C43—C44—C45—C460.3 (6)
C31—P2—O2—Li2i58.0 (3)C44—C45—C46—C411.4 (6)
Zn1—P2—O2—Li2i178.1 (3)C42—C41—C46—C451.3 (5)
C41—P2—O2—Li1179.9 (3)P2—C41—C46—C45178.9 (3)
C31—P2—O2—Li170.0 (3)O3—P3—C51—C5624.8 (4)
Zn1—P2—O2—Li153.8 (3)C61—P3—C51—C5685.5 (4)
C41—P2—O2—Li1i73.0 (3)Zn1—P3—C51—C56150.4 (3)
C31—P2—O2—Li1i177.1 (3)O3—P3—C51—C52157.3 (3)
Zn1—P2—O2—Li1i53.3 (3)C61—P3—C51—C5292.4 (4)
Cl1—Zn1—P3—O3177.68 (10)Zn1—P3—C51—C5231.7 (4)
P2—Zn1—P3—O357.12 (11)C56—C51—C52—C533.0 (7)
P1—Zn1—P3—O340.41 (11)P3—C51—C52—C53174.9 (4)
Cl1—Zn1—P3—C5152.85 (15)C51—C52—C53—C542.3 (9)
P2—Zn1—P3—C51178.06 (15)C52—C53—C54—C550.9 (10)
P1—Zn1—P3—C5184.42 (15)C53—C54—C55—C560.1 (11)
Cl1—Zn1—P3—C6163.20 (13)C52—C51—C56—C552.2 (8)
P2—Zn1—P3—C6162.01 (13)P3—C51—C56—C55175.7 (5)
P1—Zn1—P3—C61159.54 (13)C54—C55—C56—C510.8 (10)
C51—P3—O3—Li278.2 (3)O3—P3—C61—C6628.0 (4)
C61—P3—O3—Li2175.9 (2)C51—P3—C61—C6684.5 (3)
Zn1—P3—O3—Li251.6 (2)Zn1—P3—C61—C66149.4 (3)
C51—P3—O3—Li1i170.0 (3)O3—P3—C61—C62151.7 (3)
C61—P3—O3—Li1i64.1 (3)C51—P3—C61—C6295.8 (3)
Zn1—P3—O3—Li1i60.2 (3)Zn1—P3—C61—C6230.3 (4)
P4'—O4—P4—C8164.1 (4)C66—C61—C62—C630.1 (6)
Li2—O4—P4—C81133.2 (7)P3—C61—C62—C63179.6 (4)
P4'—O4—P4—C7143.4 (2)C61—C62—C63—C640.7 (8)
Li2—O4—P4—C71119.3 (6)C62—C63—C64—C650.3 (10)
P4—O4—P4'—C7158.0 (3)C63—C64—C65—C662.0 (10)
Li2—O4—P4'—C71106.1 (6)C64—C65—C66—C612.6 (9)
P4—O4—P4'—C8149.7 (3)C62—C61—C66—C651.5 (7)
Li2—O4—P4'—C81146.1 (6)P3—C61—C66—C65178.8 (4)
P1—O1—Li1—O3i87.5 (9)O4—P4'—C71—C7215.3 (8)
Li2—O1—Li1—O3i144.9 (9)C81—P4'—C71—C7290.5 (7)
P1—O1—Li1—O240.7 (4)O4—P4'—C71—C76151.8 (4)
Li2—O1—Li1—O287.0 (3)C81—P4'—C71—C76102.4 (5)
P1—O1—Li1—O2i144.1 (2)O4—P4'—C71—P447.9 (2)
Li2—O1—Li1—O2i16.4 (2)C81—P4'—C71—P457.9 (3)
P2—O2—Li1—O138.2 (4)O4—P4—C71—C72110.0 (4)
Li2i—O2—Li1—O1178.8 (3)C81—P4—C71—C72133.8 (4)
Li1i—O2—Li1—O192.1 (3)O4—P4—C71—C7682.0 (8)
P2—O2—Li1—O3i125.1 (2)C81—P4—C71—C7634.2 (9)
Li2i—O2—Li1—O3i17.9 (2)O4—P4—C71—P4'47.7 (2)
Li1i—O2—Li1—O3i104.6 (3)C81—P4—C71—P4'68.5 (4)
P2—O2—Li1—O2i130.3 (2)C76—C71—C72—C735.3 (9)
Li2i—O2—Li1—O2i86.7 (3)P4'—C71—C72—C73171.5 (6)
Li1i—O2—Li1—O2i0.0P4—C71—C72—C73167.0 (6)
P4—O4—Li2—O2i78.1 (7)C71—C72—C73—C744.4 (11)
P4'—O4—Li2—O2i72.5 (7)C72—C73—C74—C752.1 (11)
P4—O4—Li2—O3172.0 (4)C73—C74—C75—C767.2 (12)
P4'—O4—Li2—O337.5 (7)C74—C75—C76—C715.7 (10)
P4—O4—Li2—O136.9 (8)C72—C71—C76—C750.3 (8)
P4'—O4—Li2—O1172.5 (4)P4'—C71—C76—C75170.3 (5)
P3—O3—Li2—O480.6 (3)P4—C71—C76—C75166.4 (6)
Li1i—O3—Li2—O4147.8 (3)O4—P4—C81—C8628.8 (10)
P3—O3—Li2—O2i149.75 (18)C71—P4—C81—C86140.9 (8)
Li1i—O3—Li2—O2i18.2 (2)O4—P4—C81—C82171.0 (10)
P3—O3—Li2—O157.9 (3)C71—P4—C81—C8258.9 (11)
Li1i—O3—Li2—O173.6 (3)O4—P4—C81—P4'57.7 (2)
P1—O1—Li2—O475.2 (4)C71—P4—C81—P4'54.4 (2)
Li1—O1—Li2—O4149.5 (4)O4—P4'—C81—C8665.7 (7)
P1—O1—Li2—O2i152.76 (18)C71—P4'—C81—C86175.1 (6)
Li1—O1—Li2—O2i17.4 (3)O4—P4'—C81—C82139.9 (11)
P1—O1—Li2—O361.2 (3)C71—P4'—C81—C8220.7 (12)
Li1—O1—Li2—O374.1 (3)O4—P4'—C81—P448.2 (2)
O1—P1—C11—C12152.2 (3)C71—P4'—C81—P471.0 (3)
C21—P1—C11—C1296.4 (4)C86—C81—C82—C831 (2)
Zn1—P1—C11—C1228.9 (4)P4—C81—C82—C83161.2 (12)
O1—P1—C11—C1630.8 (3)P4'—C81—C82—C83151.6 (11)
C21—P1—C11—C1680.6 (3)C81—C82—C83—C841 (2)
Zn1—P1—C11—C16154.1 (3)C82—C83—C84—C852.6 (17)
C16—C11—C12—C130.6 (7)C83—C84—C85—C863.6 (12)
P1—C11—C12—C13177.6 (4)C82—C81—C86—C850.2 (15)
C11—C12—C13—C140.2 (9)P4—C81—C86—C85159.3 (6)
C12—C13—C14—C150.8 (9)P4'—C81—C86—C85156.1 (5)
C13—C14—C15—C161.3 (8)C84—C85—C86—C812.4 (11)
C14—C15—C16—C110.9 (7)C106—C101—C102—C1033.9 (17)
C12—C11—C16—C150.0 (6)C107—C101—C102—C103176.4 (12)
P1—C11—C16—C15177.1 (3)C101—C102—C103—C1045 (2)
O1—P1—C21—C26166.3 (4)C102—C103—C104—C1054 (3)
C11—P1—C21—C2680.9 (4)C103—C104—C105—C1062 (2)
Zn1—P1—C21—C2645.4 (4)C104—C105—C106—C1011.1 (13)
O1—P1—C21—C2213.7 (3)C102—C101—C106—C1051.8 (12)
C11—P1—C21—C2299.2 (3)C107—C101—C106—C105178.5 (8)
Zn1—P1—C21—C22134.5 (3)C206—C201—C202—C2033.8 (13)
C26—C21—C22—C232.7 (6)C207—C201—C202—C203179.3 (9)
P1—C21—C22—C23177.3 (3)C201—C202—C203—C2042.4 (15)
C21—C22—C23—C241.2 (7)C202—C203—C204—C2055.5 (19)
C22—C23—C24—C250.6 (9)C203—C204—C205—C2069.7 (18)
C23—C24—C25—C260.8 (10)C202—C201—C206—C2058.3 (13)
C22—C21—C26—C252.5 (7)C207—C201—C206—C205175.1 (9)
P1—C21—C26—C25177.5 (5)C204—C205—C206—C20111.2 (15)
C24—C25—C26—C210.8 (10)
Symmetry code: (i) x+1, y+1, z+1.
 

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