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The title complex, [Zn2(C5H10NO2)3Cl(C4H11N)] or [Zn2{O2CN(C2H5)2}3Cl{HN(C2H5)2}], consists of a dinuclear Zn2(O2CNEt2)3+ core bridged by three diethyl­carbamate ligands in a μ1,3 manner and capped by chloride and diethyl­amine ligands. This threefold paddlewheel structure is common in carbamatozinc coordination chemistry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804002193/om6209sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804002193/om6209Isup2.hkl
Contains datablock I

CCDC reference: 236025

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.023
  • wR factor = 0.056
  • Data-to-parameter ratio = 12.6

checkCIF/PLATON results

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Alert level B PLAT301_ALERT_3_B Main Residue Disorder ......................... 33.00 Perc.
Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.62 Ratio
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1999); program(s) used to solve structure: SHELXTL (Sheldrick, 2003); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(I) top
Crystal data top
[Zn2(C5H10NO2)3Cl(C4H11N)]Dx = 1.436 Mg m3
Mr = 587.75Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PbcaCell parameters from 5348 reflections
a = 16.3204 (12) Åθ = 2.2–24.9°
b = 17.8489 (13) ŵ = 1.90 mm1
c = 18.6636 (14) ÅT = 173 K
V = 5436.7 (7) Å3Irregular Block, colorless
Z = 80.35 × 0.35 × 0.20 mm
F(000) = 2464
Data collection top
Bruker CCD
diffractometer
4807 independent reflections
Radiation source: normal-focus sealed tube3841 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.035
ω and φ scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Blessing, 1995)
h = 1919
Tmin = 0.539, Tmax = 0.681k = 2114
27209 measured reflectionsl = 2022
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)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.056H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0294P)2 + 0.4305P]
where P = (Fo2 + 2Fc2)/3
4807 reflections(Δ/σ)max = 0.002
381 parametersΔρmax = 0.23 e Å3
192 restraintsΔρmin = 0.38 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.

Non-bonded distance for Zn1···ZN2 is 3.2975 (4) angstrom.

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.

A direct methods solution was calculated that provides most of the non-hydrogen atoms. Several full-matrix least squares/difference Fourier cycles located the remainder of the non-hydrogen atoms.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn10.182355 (14)0.105343 (12)0.740612 (12)0.02712 (7)
Zn20.156906 (13)0.285547 (13)0.772550 (12)0.02813 (7)
Cl10.12096 (3)0.40574 (3)0.77789 (3)0.03839 (13)
O100.1828 (3)0.2678 (3)0.6717 (3)0.0358 (9)0.727 (5)
O110.1907 (12)0.1456 (3)0.6454 (4)0.0379 (14)0.727 (5)
C100.1883 (5)0.2139 (3)0.6277 (3)0.0272 (14)0.727 (5)
N100.1947 (3)0.2300 (2)0.5571 (2)0.0350 (11)0.727 (5)
C110.2026 (3)0.3072 (2)0.5323 (2)0.0607 (13)0.727 (5)
H11A0.25310.31140.50310.073*0.727 (5)
H11B0.20920.34020.57450.073*0.727 (5)
C120.1317 (2)0.3351 (2)0.4886 (2)0.0693 (14)0.727 (5)
H12A0.14050.38790.47640.104*0.727 (5)
H12B0.08110.33000.51640.104*0.727 (5)
H12C0.12740.30550.44450.104*0.727 (5)
C130.1978 (6)0.1694 (4)0.5038 (4)0.0472 (13)0.727 (5)
H13A0.23170.12800.52290.057*0.727 (5)
H13B0.22490.18840.45990.057*0.727 (5)
C140.1140 (8)0.1390 (4)0.4840 (7)0.0548 (16)0.727 (5)
H14A0.11980.10130.44610.082*0.727 (5)
H14B0.07920.18000.46690.082*0.727 (5)
H14C0.08880.11590.52630.082*0.727 (5)
O10'0.1612 (8)0.2563 (9)0.6718 (8)0.0358 (9)0.273 (5)
O11'0.184 (3)0.1371 (8)0.6388 (12)0.0379 (14)0.273 (5)
C10'0.1739 (18)0.2062 (8)0.6250 (7)0.0272 (14)0.273 (5)
N10'0.1720 (9)0.2259 (5)0.5551 (7)0.0350 (11)0.273 (5)
C11'0.1454 (6)0.3006 (5)0.5323 (5)0.049 (3)0.273 (5)
H11C0.11950.32620.57350.058*0.273 (5)
H11D0.10330.29490.49450.058*0.273 (5)
C12'0.2132 (6)0.3491 (5)0.5041 (6)0.056 (3)0.273 (5)
H12D0.19180.39940.49420.084*0.273 (5)
H12E0.23500.32730.45990.084*0.273 (5)
H12F0.25700.35250.53990.084*0.273 (5)
C13'0.1863 (18)0.1692 (10)0.4995 (11)0.0472 (13)0.273 (5)
H13C0.23310.13740.51390.057*0.273 (5)
H13D0.20130.19480.45420.057*0.273 (5)
C14'0.113 (2)0.1200 (13)0.486 (2)0.0548 (16)0.273 (5)
H14D0.12680.08120.45110.082*0.273 (5)
H14E0.06750.15050.46760.082*0.273 (5)
H14F0.09590.09620.53120.082*0.273 (5)
O200.0732 (2)0.2264 (2)0.82537 (19)0.0354 (8)0.718 (5)
O210.0711 (4)0.1117 (3)0.7740 (3)0.0335 (12)0.718 (5)
C200.0410 (3)0.1626 (3)0.8141 (5)0.0295 (14)0.718 (5)
N200.02969 (19)0.14722 (16)0.84851 (17)0.0316 (8)0.718 (5)
C210.06730 (18)0.20322 (18)0.89520 (16)0.0367 (9)0.718 (5)
H21A0.02430.22560.92590.044*0.718 (5)
H21B0.10740.17800.92690.044*0.718 (5)
C220.1100 (2)0.2647 (2)0.8550 (3)0.0606 (13)0.718 (5)
H22A0.13920.29710.88890.091*0.718 (5)
H22B0.14920.24290.82120.091*0.718 (5)
H22C0.06950.29450.82870.091*0.718 (5)
C230.0718 (5)0.0755 (3)0.8396 (4)0.0390 (10)0.718 (5)
H23A0.05130.05080.79560.047*0.718 (5)
H23B0.13110.08490.83310.047*0.718 (5)
C240.0600 (7)0.0230 (3)0.9025 (5)0.0647 (15)0.718 (5)
H24A0.08890.02420.89320.097*0.718 (5)
H24B0.08200.04620.94600.097*0.718 (5)
H24C0.00150.01290.90890.097*0.718 (5)
O20'0.0594 (6)0.2344 (5)0.7946 (5)0.035 (2)0.282 (5)
O21'0.0774 (10)0.1102 (9)0.7894 (11)0.0335 (12)0.282 (5)
C20'0.0337 (7)0.1678 (6)0.8021 (15)0.0295 (14)0.282 (5)
N20'0.0454 (5)0.1578 (4)0.8205 (5)0.0316 (8)0.282 (5)
C21'0.0997 (4)0.2220 (5)0.8336 (4)0.035 (2)0.282 (5)
H21C0.15700.20670.82410.042*0.282 (5)
H21D0.08570.26270.79970.042*0.282 (5)
C22'0.0936 (6)0.2514 (7)0.9088 (5)0.062 (3)0.282 (5)
H22D0.13080.29400.91460.093*0.282 (5)
H22E0.03720.26750.91820.093*0.282 (5)
H22F0.10870.21180.94260.093*0.282 (5)
C23'0.0792 (13)0.0828 (7)0.8319 (12)0.0390 (10)0.282 (5)
H23C0.05750.04930.79420.047*0.282 (5)
H23D0.13940.08540.82560.047*0.282 (5)
C24'0.061 (2)0.0481 (9)0.9038 (13)0.0647 (15)0.282 (5)
H24D0.08820.07750.94150.097*0.282 (5)
H24E0.00220.04750.91210.097*0.282 (5)
H24F0.08250.00330.90470.097*0.282 (5)
O300.25895 (8)0.26442 (7)0.82331 (7)0.0340 (3)
O310.27042 (8)0.14075 (8)0.80043 (8)0.0388 (4)
C300.29663 (12)0.20194 (12)0.82663 (10)0.0305 (5)
N300.36934 (10)0.19957 (9)0.86092 (9)0.0356 (4)
C310.40371 (13)0.26630 (13)0.89533 (12)0.0449 (6)
H31A0.42660.25210.94250.054*
H31B0.35930.30300.90370.054*
C320.47013 (15)0.30273 (15)0.85092 (17)0.0708 (9)
H32A0.48850.34880.87460.106*
H32B0.44850.31490.80330.106*
H32C0.51650.26820.84610.106*
C330.41691 (14)0.13013 (13)0.86532 (12)0.0454 (6)
H33A0.47600.14240.86290.054*
H33B0.40360.09820.82350.054*
C340.40035 (15)0.08656 (14)0.93319 (14)0.0593 (7)
H34A0.43430.04130.93380.089*
H34B0.34240.07240.93490.089*
H34C0.41360.11770.97480.089*
N400.20388 (10)0.00661 (9)0.73661 (8)0.0310 (4)
H400.25940.01290.74590.037*
C410.18895 (14)0.03886 (13)0.66441 (12)0.0445 (6)
H41A0.20260.09290.66520.053*
H41B0.22580.01420.62940.053*
C420.10141 (15)0.02940 (14)0.64009 (13)0.0563 (7)
H42A0.09590.04730.59070.084*
H42B0.08630.02370.64230.084*
H42C0.06510.05840.67140.084*
C430.15920 (13)0.04960 (12)0.79335 (12)0.0398 (5)
H43A0.17040.10380.78750.048*
H43B0.09950.04170.78780.048*
C440.18541 (15)0.02490 (13)0.86726 (12)0.0515 (6)
H44A0.15520.05360.90340.077*
H44C0.17370.02860.87320.077*
H44D0.24430.03370.87310.077*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.03085 (13)0.02458 (13)0.02592 (13)0.00225 (10)0.00163 (10)0.00009 (9)
Zn20.02410 (13)0.02514 (13)0.03513 (14)0.00051 (10)0.00178 (10)0.00180 (10)
Cl10.0355 (3)0.0259 (3)0.0537 (3)0.0017 (2)0.0016 (2)0.0002 (2)
O100.040 (3)0.037 (2)0.0314 (9)0.0017 (16)0.0030 (16)0.0046 (11)
O110.060 (3)0.0301 (15)0.0241 (18)0.005 (3)0.002 (2)0.0003 (14)
C100.015 (4)0.0377 (17)0.0284 (12)0.0041 (18)0.0012 (12)0.0005 (11)
N100.042 (3)0.0377 (12)0.0257 (10)0.0058 (14)0.0001 (16)0.0066 (8)
C110.083 (3)0.057 (3)0.043 (2)0.025 (3)0.021 (2)0.017 (2)
C120.084 (3)0.068 (3)0.056 (3)0.011 (2)0.002 (2)0.021 (2)
C130.056 (3)0.0600 (17)0.0256 (15)0.0058 (16)0.0081 (17)0.0007 (11)
C140.080 (2)0.043 (4)0.0417 (17)0.006 (4)0.0008 (16)0.006 (4)
O10'0.040 (3)0.037 (2)0.0314 (9)0.0017 (16)0.0030 (16)0.0046 (11)
O11'0.060 (3)0.0301 (15)0.0241 (18)0.005 (3)0.002 (2)0.0003 (14)
C10'0.015 (4)0.0377 (17)0.0284 (12)0.0041 (18)0.0012 (12)0.0005 (11)
N10'0.042 (3)0.0377 (12)0.0257 (10)0.0058 (14)0.0001 (16)0.0066 (8)
C11'0.047 (6)0.065 (8)0.034 (6)0.015 (6)0.004 (5)0.010 (5)
C12'0.069 (7)0.048 (7)0.051 (6)0.002 (5)0.008 (5)0.011 (5)
C13'0.056 (3)0.0600 (17)0.0256 (15)0.0058 (16)0.0081 (17)0.0007 (11)
C14'0.080 (2)0.043 (4)0.0417 (17)0.006 (4)0.0008 (16)0.006 (4)
O200.0373 (17)0.0290 (16)0.040 (2)0.0086 (13)0.0141 (15)0.0022 (16)
O210.0294 (13)0.0299 (9)0.041 (3)0.0024 (8)0.0045 (17)0.0076 (15)
C200.0293 (14)0.0273 (14)0.032 (4)0.0007 (11)0.0023 (18)0.0016 (14)
N200.0304 (15)0.0266 (13)0.038 (2)0.0037 (11)0.0115 (15)0.0008 (14)
C210.0319 (18)0.038 (2)0.040 (2)0.0051 (15)0.0116 (14)0.0056 (15)
C220.055 (3)0.057 (3)0.070 (4)0.016 (2)0.016 (2)0.004 (2)
C230.0331 (19)0.0331 (16)0.051 (2)0.0090 (15)0.0047 (15)0.0004 (15)
C240.080 (2)0.042 (4)0.071 (2)0.005 (4)0.0101 (17)0.016 (3)
O20'0.035 (4)0.022 (4)0.047 (6)0.003 (3)0.015 (4)0.005 (4)
O21'0.0294 (13)0.0299 (9)0.041 (3)0.0024 (8)0.0045 (17)0.0076 (15)
C20'0.0293 (14)0.0273 (14)0.032 (4)0.0007 (11)0.0023 (18)0.0016 (14)
N20'0.0304 (15)0.0266 (13)0.038 (2)0.0037 (11)0.0115 (15)0.0008 (14)
C21'0.023 (4)0.053 (6)0.028 (5)0.006 (4)0.001 (3)0.002 (4)
C22'0.063 (7)0.075 (9)0.048 (7)0.007 (6)0.010 (5)0.017 (6)
C23'0.0331 (19)0.0331 (16)0.051 (2)0.0090 (15)0.0047 (15)0.0004 (15)
C24'0.080 (2)0.042 (4)0.071 (2)0.005 (4)0.0101 (17)0.016 (3)
O300.0339 (8)0.0294 (8)0.0387 (8)0.0026 (6)0.0060 (6)0.0012 (6)
O310.0408 (9)0.0314 (9)0.0442 (9)0.0030 (7)0.0132 (7)0.0036 (7)
C300.0314 (11)0.0370 (13)0.0231 (11)0.0000 (10)0.0028 (9)0.0032 (9)
N300.0287 (9)0.0402 (11)0.0379 (10)0.0035 (8)0.0068 (8)0.0028 (8)
C310.0410 (13)0.0518 (16)0.0420 (14)0.0020 (11)0.0112 (11)0.0019 (11)
C320.0403 (15)0.066 (2)0.106 (3)0.0053 (13)0.0019 (15)0.0105 (17)
C330.0401 (13)0.0514 (15)0.0447 (14)0.0150 (12)0.0080 (11)0.0028 (11)
C340.0580 (17)0.0525 (17)0.0673 (18)0.0059 (13)0.0086 (14)0.0121 (13)
N400.0327 (9)0.0280 (10)0.0322 (10)0.0046 (8)0.0010 (7)0.0032 (7)
C410.0545 (14)0.0364 (14)0.0424 (14)0.0072 (11)0.0015 (11)0.0131 (10)
C420.0695 (17)0.0510 (17)0.0485 (16)0.0004 (13)0.0168 (13)0.0135 (12)
C430.0453 (13)0.0271 (12)0.0471 (14)0.0030 (10)0.0053 (11)0.0046 (10)
C440.0695 (17)0.0465 (15)0.0384 (14)0.0073 (13)0.0076 (12)0.0105 (11)
Geometric parameters (Å, º) top
Zn1—Zn23.2975 (4)C22—H22C0.9800
Zn1—O111.922 (8)C23—C241.514 (4)
Zn1—O211.923 (6)C23—H23A0.9900
Zn1—O311.9265 (14)C23—H23B0.9900
Zn1—O21'1.942 (16)C24—H24A0.9800
Zn1—O11'1.98 (2)C24—H24B0.9800
Zn1—N402.0302 (16)C24—H24C0.9800
Zn2—O20'1.881 (9)O20'—C20'1.269 (6)
Zn2—O10'1.953 (14)O21'—C20'1.272 (7)
Zn2—O301.9527 (13)C20'—N20'1.347 (7)
Zn2—O101.955 (5)N20'—C23'1.463 (6)
Zn2—O201.988 (4)N20'—C21'1.469 (6)
Zn2—Cl12.2262 (6)C21'—C22'1.502 (7)
O10—C101.268 (3)C21'—H21C0.9900
O11—C101.265 (4)C21'—H21D0.9900
C10—N101.352 (3)C22'—H22D0.9800
N10—C111.459 (4)C22'—H22E0.9800
N10—C131.470 (4)C22'—H22F0.9800
C11—C121.500 (5)C23'—C24'1.508 (7)
C11—H11A0.9900C23'—H23C0.9900
C11—H11B0.9900C23'—H23D0.9900
C12—H12A0.9800C24'—H24D0.9800
C12—H12B0.9800C24'—H24E0.9800
C12—H12C0.9800C24'—H24F0.9800
C13—C141.517 (5)O30—C301.275 (2)
C13—H13A0.9900O31—C301.271 (2)
C13—H13B0.9900C30—N301.349 (2)
C14—H14A0.9800N30—C331.465 (3)
C14—H14B0.9800N30—C311.465 (3)
C14—H14C0.9800C31—C321.512 (3)
O10'—C10'1.268 (7)C31—H31A0.9900
O11'—C10'1.270 (7)C31—H31B0.9900
C10'—N10'1.352 (7)C32—H32A0.9800
N10'—C11'1.464 (7)C32—H32B0.9800
N10'—C13'1.469 (7)C32—H32C0.9800
C11'—C12'1.500 (7)C33—C341.511 (3)
C11'—H11C0.9900C33—H33A0.9900
C11'—H11D0.9900C33—H33B0.9900
C12'—H12D0.9800C34—H34A0.9800
C12'—H12E0.9800C34—H34B0.9800
C12'—H12F0.9800C34—H34C0.9800
C13'—C14'1.510 (7)N40—C411.486 (3)
C13'—H13C0.9900N40—C431.497 (3)
C13'—H13D0.9900N40—H400.9300
C14'—H14D0.9800C41—C421.509 (3)
C14'—H14E0.9800C41—H41A0.9900
C14'—H14F0.9800C41—H41B0.9900
O20—C201.273 (4)C42—H42A0.9800
O21—C201.275 (5)C42—H42B0.9800
C20—N201.349 (4)C42—H42C0.9800
N20—C211.461 (4)C43—C441.510 (3)
N20—C231.463 (4)C43—H43A0.9900
C21—C221.502 (4)C43—H43B0.9900
C21—H21A0.9900C44—H44A0.9800
C21—H21B0.9900C44—H44C0.9800
C22—H22A0.9800C44—H44D0.9800
C22—H22B0.9800
Zn1···Zn23.2975 (4)Zn2···O213.405 (6)
Zn1···O303.4651 (13)Zn2···O21'3.403 (16)
Zn1···O203.216 (3)Zn2···O113.489 (7)
Zn1···O20'3.217 (9)Zn2···O11'3.667 (19)
Zn1···O103.172 (5)Zn2···O313.2222 (14)
Zn1···O10'3.005 (16)
O11—Zn1—O21110.2 (6)C22—C21—H21A108.9
O11—Zn1—O31111.1 (5)N20—C21—H21B108.9
O21—Zn1—O31119.83 (19)C22—C21—H21B108.9
O11—Zn1—O21'118.7 (8)H21A—C21—H21B107.7
O21—Zn1—O21'9.1 (8)N20—C23—C24113.2 (4)
O31—Zn1—O21'111.8 (6)N20—C23—H23A108.9
O11—Zn1—O11'6.3 (14)C24—C23—H23A108.9
O21—Zn1—O11'107.9 (16)N20—C23—H23B108.9
O31—Zn1—O11'116.8 (14)C24—C23—H23B108.9
O21'—Zn1—O11'116.7 (17)H23A—C23—H23B107.8
O11—Zn1—N40108.7 (2)C20'—O20'—Zn2139.4 (8)
O21—Zn1—N40103.48 (19)C20'—O21'—Zn1128.2 (13)
O31—Zn1—N40102.42 (6)O20'—C20'—O21'123.4 (10)
O21'—Zn1—N40102.4 (5)O20'—C20'—N20'117.9 (8)
O11'—Zn1—N40104.1 (6)O21'—C20'—N20'118.6 (10)
O20'—Zn2—O10'96.4 (5)C20'—N20'—C23'121.3 (9)
O20'—Zn2—O30121.5 (3)C20'—N20'—C21'121.2 (6)
O10'—Zn2—O30112.7 (5)C23'—N20'—C21'117.4 (9)
O20'—Zn2—O10108.3 (3)N20'—C21'—C22'112.8 (7)
O10'—Zn2—O1012.0 (4)N20'—C21'—H21C109.0
O30—Zn2—O10104.57 (15)C22'—C21'—H21C109.0
O20'—Zn2—O2018.6 (2)N20'—C21'—H21D109.0
O10'—Zn2—O20111.1 (4)C22'—C21'—H21D109.0
O30—Zn2—O20104.07 (12)H21C—C21'—H21D107.8
O10—Zn2—O20122.70 (16)N20'—C23'—C24'115.6 (10)
O20'—Zn2—Cl1103.6 (3)N20'—C23'—H23C108.4
O10'—Zn2—Cl1108.0 (5)C24'—C23'—H23C108.4
O30—Zn2—Cl1112.89 (4)N20'—C23'—H23D108.4
O10—Zn2—Cl1104.83 (17)C24'—C23'—H23D108.4
O20—Zn2—Cl1107.94 (13)H23C—C23'—H23D107.4
C10—O10—Zn2139.6 (4)C30—O30—Zn2127.14 (13)
C10—O11—Zn1126.8 (5)C30—O31—Zn1139.11 (13)
O11—C10—O10124.4 (4)O31—C30—O30124.80 (18)
O11—C10—N10117.2 (4)O31—C30—N30116.85 (18)
O10—C10—N10118.4 (4)O30—C30—N30118.34 (18)
C10—N10—C11121.1 (3)C30—N30—C33121.29 (18)
C10—N10—C13120.4 (4)C30—N30—C31121.29 (17)
C11—N10—C13118.4 (4)C33—N30—C31117.42 (17)
N10—C11—C12114.7 (4)N30—C31—C32112.6 (2)
N10—C11—H11A108.6N30—C31—H31A109.1
C12—C11—H11A108.6C32—C31—H31A109.1
N10—C11—H11B108.6N30—C31—H31B109.1
C12—C11—H11B108.6C32—C31—H31B109.1
H11A—C11—H11B107.6H31A—C31—H31B107.8
N10—C13—C14113.4 (4)C31—C32—H32A109.5
N10—C13—H13A108.9C31—C32—H32B109.5
C14—C13—H13A108.9H32A—C32—H32B109.5
N10—C13—H13B108.9C31—C32—H32C109.5
C14—C13—H13B108.9H32A—C32—H32C109.5
H13A—C13—H13B107.7H32B—C32—H32C109.5
C10'—O10'—Zn2149.1 (12)N30—C33—C34112.82 (19)
C10'—O11'—Zn1118.0 (14)N30—C33—H33A109.0
O10'—C10'—O11'124.6 (11)C34—C33—H33A109.0
O10'—C10'—N10'118.5 (9)N30—C33—H33B109.0
O11'—C10'—N10'116.9 (10)C34—C33—H33B109.0
C10'—N10'—C11'121.7 (8)H33A—C33—H33B107.8
C10'—N10'—C13'119.9 (9)C33—C34—H34A109.5
C11'—N10'—C13'117.9 (9)C33—C34—H34B109.5
N10'—C11'—C12'114.1 (8)H34A—C34—H34B109.5
N10'—C11'—H11C108.7C33—C34—H34C109.5
C12'—C11'—H11C108.7H34A—C34—H34C109.5
N10'—C11'—H11D108.7H34B—C34—H34C109.5
C12'—C11'—H11D108.7C41—N40—C43111.29 (17)
H11C—C11'—H11D107.6C41—N40—Zn1112.73 (13)
C11'—C12'—H12D109.5C43—N40—Zn1113.21 (12)
C11'—C12'—H12E109.5C41—N40—H40106.3
H12D—C12'—H12E109.5C43—N40—H40106.3
C11'—C12'—H12F109.5Zn1—N40—H40106.3
H12D—C12'—H12F109.5N40—C41—C42112.63 (18)
H12E—C12'—H12F109.5N40—C41—H41A109.1
N10'—C13'—C14'113.1 (11)C42—C41—H41A109.1
N10'—C13'—H13C109.0N40—C41—H41B109.1
C14'—C13'—H13C109.0C42—C41—H41B109.1
N10'—C13'—H13D109.0H41A—C41—H41B107.8
C14'—C13'—H13D109.0C41—C42—H42A109.5
H13C—C13'—H13D107.8C41—C42—H42B109.5
C13'—C14'—H14D109.5H42A—C42—H42B109.5
C13'—C14'—H14E109.5C41—C42—H42C109.5
H14D—C14'—H14E109.5H42A—C42—H42C109.5
C13'—C14'—H14F109.5H42B—C42—H42C109.5
H14D—C14'—H14F109.5N40—C43—C44111.01 (18)
H14E—C14'—H14F109.5N40—C43—H43A109.4
C20—O20—Zn2132.6 (4)C44—C43—H43A109.4
C20—O21—Zn1126.5 (5)N40—C43—H43B109.4
O20—C20—O21125.2 (4)C44—C43—H43B109.4
O20—C20—N20117.1 (4)H43A—C43—H43B108.0
O21—C20—N20117.6 (4)C43—C44—H44A109.5
C20—N20—C21120.3 (3)C43—C44—H44C109.5
C20—N20—C23121.7 (4)H44A—C44—H44C109.5
C21—N20—C23118.0 (4)C43—C44—H44D109.5
N20—C21—C22113.4 (3)H44A—C44—H44D109.5
N20—C21—H21A108.9H44C—C44—H44D109.5
O20'—Zn2—O10—C1048.6 (8)C20—N20—C21—C2276.1 (6)
O10'—Zn2—O10—C1052 (3)C23—N20—C21—C22102.7 (5)
O30—Zn2—O10—C1082.3 (7)C20—N20—C23—C24103.3 (8)
O20—Zn2—O10—C1035.5 (8)C21—N20—C23—C2477.9 (8)
Cl1—Zn2—O10—C10158.8 (7)O10'—Zn2—O20'—C20'71 (2)
O21—Zn1—O11—C1073.9 (16)O30—Zn2—O20'—C20'51 (2)
O31—Zn1—O11—C1061.3 (17)O10—Zn2—O20'—C20'70 (2)
O21'—Zn1—O11—C1070.4 (18)O20—Zn2—O20'—C20'73 (2)
O11'—Zn1—O11—C10144 (18)Cl1—Zn2—O20'—C20'179 (2)
N40—Zn1—O11—C10173.3 (14)O11—Zn1—O21'—C20'56 (2)
Zn1—O11—C10—O103 (2)O21—Zn1—O21'—C20'78 (4)
Zn1—O11—C10—N10179.5 (10)O31—Zn1—O21'—C20'75 (2)
Zn2—O10—C10—O1113.9 (17)O11'—Zn1—O21'—C20'63 (2)
Zn2—O10—C10—N10168.3 (4)N40—Zn1—O21'—C20'176 (2)
O11—C10—N10—C11172.5 (11)Zn2—O20'—C20'—O21'5 (4)
O10—C10—N10—C115.5 (10)Zn2—O20'—C20'—N20'178.6 (9)
O11—C10—N10—C134.6 (14)Zn1—O21'—C20'—O20'12 (4)
O10—C10—N10—C13177.4 (7)Zn1—O21'—C20'—N20'163.8 (16)
C10—N10—C11—C12114.6 (6)O20'—C20'—N20'—C23'178.6 (17)
C13—N10—C11—C1268.2 (7)O21'—C20'—N20'—C23'5 (3)
C10—N10—C13—C1482.0 (9)O20'—C20'—N20'—C21'2 (3)
C11—N10—C13—C14100.8 (7)O21'—C20'—N20'—C21'178.0 (18)
O20'—Zn2—O10'—C10'73 (3)C20'—N20'—C21'—C22'84.7 (17)
O30—Zn2—O10'—C10'55 (3)C23'—N20'—C21'—C22'92.2 (13)
O10—Zn2—O10'—C10'104 (5)C20'—N20'—C23'—C24'80 (3)
O20—Zn2—O10'—C10'61 (3)C21'—N20'—C23'—C24'96 (2)
Cl1—Zn2—O10'—C10'180 (3)O20'—Zn2—O30—C3059.8 (4)
O11—Zn1—O11'—C10'40 (14)O10'—Zn2—O30—C3053.6 (5)
O21—Zn1—O11'—C10'72 (4)O10—Zn2—O30—C3062.9 (2)
O31—Zn1—O11'—C10'66 (4)O20—Zn2—O30—C3066.9 (2)
O21'—Zn1—O11'—C10'70 (4)Cl1—Zn2—O30—C30176.33 (14)
N40—Zn1—O11'—C10'179 (4)O11—Zn1—O31—C3064.6 (4)
Zn2—O10'—C10'—O11'9 (6)O21—Zn1—O31—C3065.7 (3)
Zn2—O10'—C10'—N10'174.7 (15)O21'—Zn1—O31—C3070.5 (6)
Zn1—O11'—C10'—O10'1 (6)O11'—Zn1—O31—C3067.6 (10)
Zn1—O11'—C10'—N10'177 (2)N40—Zn1—O31—C30179.4 (2)
O10'—C10'—N10'—C11'8 (3)Zn1—O31—C30—O307.8 (3)
O11'—C10'—N10'—C11'168 (3)Zn1—O31—C30—N30172.88 (14)
O10'—C10'—N10'—C13'180 (2)Zn2—O30—C30—O314.7 (3)
O11'—C10'—N10'—C13'3 (4)Zn2—O30—C30—N30175.97 (13)
C10'—N10'—C11'—C12'109.4 (19)O31—C30—N30—C332.1 (3)
C13'—N10'—C11'—C12'78.7 (18)O30—C30—N30—C33178.54 (17)
C10'—N10'—C13'—C14'78 (3)O31—C30—N30—C31177.74 (18)
C11'—N10'—C13'—C14'94 (2)O30—C30—N30—C311.6 (3)
O20'—Zn2—O20—C2063.0 (13)C30—N30—C31—C32101.5 (2)
O10'—Zn2—O20—C2023.9 (8)C33—N30—C31—C3278.6 (2)
O30—Zn2—O20—C2097.6 (5)C30—N30—C33—C3494.0 (2)
O10—Zn2—O20—C2020.4 (6)C31—N30—C33—C3485.8 (2)
Cl1—Zn2—O20—C20142.2 (5)O11—Zn1—N40—C4122.5 (6)
O11—Zn1—O21—C2097.5 (7)O21—Zn1—N40—C4194.6 (2)
O31—Zn1—O21—C2033.3 (7)O31—Zn1—N40—C41140.20 (14)
O21'—Zn1—O21—C2062 (4)O21'—Zn1—N40—C41103.8 (6)
O11'—Zn1—O21—C20103.7 (9)O11'—Zn1—N40—C4118.1 (17)
N40—Zn1—O21—C20146.4 (6)O11—Zn1—N40—C43150.0 (6)
Zn2—O20—C20—O2119.3 (11)O21—Zn1—N40—C4332.9 (2)
Zn2—O20—C20—N20162.1 (4)O31—Zn1—N40—C4392.35 (14)
Zn1—O21—C20—O2017.3 (11)O21'—Zn1—N40—C4323.6 (6)
Zn1—O21—C20—N20161.2 (5)O11'—Zn1—N40—C43145.6 (17)
O20—C20—N20—C211.3 (9)C43—N40—C41—C4267.4 (2)
O21—C20—N20—C21180.0 (6)Zn1—N40—C41—C4261.1 (2)
O20—C20—N20—C23179.8 (5)C41—N40—C43—C44170.60 (18)
O21—C20—N20—C231.2 (9)Zn1—N40—C43—C4461.2 (2)
 

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