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The hydro­thermally prepared title compound, [Zn3(C10H8N2)4(C2O4)3], isostructural with the Fe analog, consists of undulating chains of oxalate-bridged Zn centers linked into infinite two-dimensional layers by bridging 4,4′-bi­pyridine ligands. An additional 4,4′-bi­pyridine ligand is coordinated to two of the three inequivalent Zn centers as a terminal ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803003532/ac6030sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803003532/ac6030Isup2.hkl
Contains datablock I

CCDC reference: 206740

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.027
  • wR factor = 0.062
  • Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Amber Alert Alert Level B:
PLAT_369 Alert B Long C(sp2)-C(sp2) Bond C(43) - C(44) = 1.57 Ang.
Author response: Slightly longer than normal C-C bonds are typical of the oxalato anion.
PLAT_369  Alert B Long   C(sp2)-C(sp2) Bond  C(45)  -   C(46)  =       1.57 Ang.
Author response: Slightly longer than normal C-C bonds are typical of the oxalato anion.

Yellow Alert Alert Level C:
PLAT_369 Alert C Long C(sp2)-C(sp2) Bond C(41) - C(42) = 1.56 Ang. General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.131 Tmax scaled 0.672 Tmin scaled 0.470
0 Alert Level A = Potentially serious problem
2 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-Plus-NT (Bruker, 1999); data reduction: SAINT-Plus-NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Poly[[bis(4,4'-bipyridine)bis(µ-oxalato)trizinc(II)]]-di-µ-4,4'- bipyridine-µ2-oxalato] top
Crystal data top
[Zn3(C10H8N2)4(C2O4)3]F(000) = 2200
Mr = 1084.91Dx = 1.741 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 16.2513 (9) ÅCell parameters from 9955 reflections
b = 15.5891 (9) Åθ = 2.6–26.4°
c = 16.376 (1) ŵ = 1.81 mm1
β = 94.000 (1)°T = 293 K
V = 4138.6 (4) Å3Bar, yellow
Z = 40.42 × 0.40 × 0.22 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
8443 independent reflections
Radiation source: sealed tube6454 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.034
ω scansθmax = 26.4°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 1420
Tmin = 0.415, Tmax = 0.594k = 1819
32100 measured reflectionsl = 2020
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.062H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0256P)2]
where P = (Fo2 + 2Fc2)/3
8443 reflections(Δ/σ)max = 0.002
622 parametersΔρmax = 0.47 e Å3
0 restraintsΔρmin = 0.37 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. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

1.4816 (0.0154) x + 15.5116 (0.0018) y + 0.5504 (0.0151) z = 4.3332 (0.0084)

* -0.0042 (0.0015) N1 * 0.0012 (0.0016) C1 * 0.0014 (0.0016) C2 * -0.0011 (0.0016) C3 * -0.0018 (0.0017) C4 * 0.0046 (0.0017) C5

Rms deviation of fitted atoms = 0.0028

- 3.6690 (0.0139) x + 14.3989 (0.0059) y - 4.8008 (0.0136) z = 0.1375 (0.0095)

Angle to previous plane (with approximate e.s.d.) = 27.62 (0.05)

* 0.0010 (0.0014) N2 * -0.0030 (0.0015) C6 * 0.0017 (0.0015) C7 * 0.0014 (0.0015) C8 * -0.0034 (0.0015) C9 * 0.0023 (0.0015) C10

Rms deviation of fitted atoms = 0.0023

5.2006 (0.0137) x + 14.7100 (0.0049) y + 1.0205 (0.0144) z = 9.5968 (0.0058)

Angle to previous plane (with approximate e.s.d.) = 39.37 (0.05)

* 0.0166 (0.0014) N3 * -0.0100 (0.0015) C11 * -0.0089 (0.0016) C12 * 0.0209 (0.0016) C13 * -0.0145 (0.0016) C14 * -0.0041 (0.0015) C15

Rms deviation of fitted atoms = 0.0136

- 2.2323 (0.0144) x + 14.3462 (0.0059) y - 5.8282 (0.0135) z = 4.1450 (0.0108)

Angle to previous plane (with approximate e.s.d.) = 37.50 (0.05)

* -0.0126 (0.0014) N4 * 0.0118 (0.0015) C16 * 0.0004 (0.0015) C17 * -0.0114 (0.0015) C18 * 0.0105 (0.0015) C19 * 0.0012 (0.0015) C20

Rms deviation of fitted atoms = 0.0095

4.6088 (0.0137) x + 14.9486 (0.0040) y - 0.2023 (0.0143) z = 9.8477 (0.0090)

Angle to previous plane (with approximate e.s.d.) = 32.78 (0.05)

* -0.0189 (0.0014) N5 * 0.0057 (0.0015) C21 * 0.0125 (0.0016) C22 * -0.0178 (0.0015) C23 * 0.0050 (0.0015) C24 * 0.0136 (0.0015) C25

Rms deviation of fitted atoms = 0.0134

- 2.0379 (0.0141) x + 14.2190 (0.0058) y - 6.2327 (0.0128) z = 4.7399 (0.0141)

Angle to previous plane (with approximate e.s.d.) = 33.26 (0.05)

* 0.0064 (0.0014) N6 * 0.0023 (0.0015) C26 * -0.0087 (0.0015) C27 * 0.0068 (0.0015) C28 * 0.0016 (0.0015) C29 * -0.0084 (0.0015) C30

Rms deviation of fitted atoms = 0.0063

3.9440 (0.0143) x + 15.0256 (0.0042) y + 1.5186 (0.0144) z = 14.6545 (0.0076)

Angle to previous plane (with approximate e.s.d.) = 36.31 (0.05)

* 0.0147 (0.0014) N7 * -0.0064 (0.0015) C31 * -0.0075 (0.0015) C32 * 0.0133 (0.0015) C33 * -0.0053 (0.0016) C34 * -0.0088 (0.0016) C35

Rms deviation of fitted atoms = 0.0100

- 1.9722 (0.0147) x + 14.8336 (0.0047) y - 4.4777 (0.0139) z = 10.0608 (0.0149)

Angle to previous plane (with approximate e.s.d.) = 31.06 (0.05)

* -0.0043 (0.0015) N8 * 0.0041 (0.0015) C36 * 0.0017 (0.0015) C37 * -0.0071 (0.0015) C38 * 0.0068 (0.0016) C39 * -0.0012 (0.0016) C40

Rms deviation of fitted atoms = 0.0048

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. andis not relevant to the choice of reflections for refinement. R-factorsbased on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.212276 (14)0.223542 (15)0.540413 (13)0.02556 (7)
Zn20.255888 (14)0.556875 (15)0.492162 (13)0.02508 (7)
Zn30.277022 (14)0.894585 (15)0.472939 (13)0.02562 (7)
C10.38994 (14)0.22574 (15)0.46346 (13)0.0375 (6)
H10.40640.22240.51890.045*
C20.44983 (13)0.22198 (15)0.40844 (12)0.0373 (6)
H20.50500.21620.42660.045*
C30.42690 (13)0.22697 (14)0.32504 (12)0.0301 (5)
C40.34332 (14)0.23570 (16)0.30266 (13)0.0408 (6)
H40.32480.23910.24770.049*
C50.28830 (14)0.23925 (16)0.36259 (13)0.0417 (6)
H50.23270.24590.34640.050*
C60.53035 (14)0.18777 (14)0.12985 (12)0.0358 (5)
H60.51620.16640.07770.043*
C70.46970 (13)0.19094 (14)0.18474 (12)0.0336 (5)
H70.41640.17250.16950.040*
C80.48948 (13)0.22205 (13)0.26295 (12)0.0297 (5)
C90.57061 (13)0.24864 (14)0.28169 (12)0.0351 (5)
H90.58690.26960.33350.042*
C100.62594 (13)0.24326 (14)0.22212 (13)0.0362 (5)
H100.67970.26170.23520.043*
C110.41434 (13)0.47581 (14)0.42421 (12)0.0342 (5)
H110.42800.46580.47950.041*
C120.47297 (13)0.45895 (15)0.36946 (12)0.0354 (5)
H120.52460.43810.38790.043*
C130.45432 (13)0.47331 (14)0.28676 (12)0.0297 (5)
C140.37499 (13)0.50060 (14)0.26297 (12)0.0354 (5)
H140.35870.50810.20790.042*
C150.32071 (13)0.51639 (14)0.32223 (12)0.0362 (5)
H150.26810.53560.30540.043*
C160.65365 (13)0.46602 (14)0.18354 (12)0.0325 (5)
H160.70850.48120.19540.039*
C170.59877 (13)0.48058 (14)0.24234 (12)0.0340 (5)
H170.61670.50390.29280.041*
C180.51600 (12)0.45993 (14)0.22524 (12)0.0295 (5)
C190.49316 (13)0.42671 (15)0.14846 (12)0.0353 (5)
H190.43820.41370.13390.042*
C200.55288 (13)0.41317 (15)0.09384 (12)0.0350 (5)
H200.53670.39020.04280.042*
C210.19228 (13)0.60883 (14)0.66209 (12)0.0343 (5)
H210.24600.59340.67940.041*
C220.13816 (13)0.62677 (14)0.72105 (12)0.0341 (5)
H220.15560.62380.77630.041*
C230.05740 (12)0.64931 (13)0.69704 (12)0.0277 (5)
C240.03684 (13)0.65605 (14)0.61352 (12)0.0331 (5)
H240.01600.67270.59440.040*
C250.09566 (13)0.63775 (14)0.55936 (12)0.0319 (5)
H250.08100.64360.50370.038*
C260.04330 (13)0.71637 (14)0.88759 (12)0.0318 (5)
H260.02760.74100.93800.038*
C270.01708 (13)0.70085 (14)0.83419 (12)0.0328 (5)
H270.07190.71400.84920.039*
C280.00467 (12)0.66540 (13)0.75795 (12)0.0282 (5)
C290.08766 (13)0.64538 (14)0.74024 (12)0.0331 (5)
H290.10510.62110.69010.040*
C300.14353 (13)0.66192 (14)0.79786 (12)0.0333 (5)
H300.19850.64730.78540.040*
C310.19895 (13)0.85781 (14)0.64158 (13)0.0359 (5)
H310.25280.84110.65680.043*
C320.14466 (13)0.86588 (14)0.70196 (12)0.0341 (5)
H320.16190.85490.75630.041*
C330.06367 (13)0.89068 (14)0.68067 (12)0.0306 (5)
C340.04187 (13)0.90353 (15)0.59786 (12)0.0377 (6)
H340.01190.91870.58050.045*
C350.10000 (13)0.89366 (15)0.54223 (12)0.0380 (6)
H350.08400.90210.48720.046*
C360.03329 (14)0.93902 (14)0.87765 (12)0.0354 (5)
H360.01690.95760.93020.042*
C370.02662 (14)0.93010 (14)0.82223 (12)0.0338 (5)
H370.08160.94230.83750.041*
C380.00307 (13)0.90262 (14)0.74354 (12)0.0297 (5)
C390.08019 (13)0.88669 (15)0.72434 (12)0.0361 (5)
H390.09880.86940.67190.043*
C400.13460 (14)0.89710 (15)0.78458 (13)0.0387 (6)
H400.19000.88550.77120.046*
C410.25879 (11)0.39357 (13)0.56133 (11)0.0217 (4)
C420.18684 (12)0.39300 (13)0.49296 (11)0.0228 (4)
C430.31635 (12)0.72336 (13)0.50210 (11)0.0226 (4)
C440.24516 (12)0.72363 (13)0.43260 (11)0.0220 (4)
C450.27700 (12)1.05784 (13)0.54514 (11)0.0244 (4)
C460.20833 (12)1.05928 (13)0.47324 (11)0.0246 (4)
N10.30966 (11)0.23381 (11)0.44239 (10)0.0325 (4)
N20.60758 (11)0.21336 (12)0.14674 (10)0.0349 (4)
N30.33911 (10)0.50573 (11)0.40233 (10)0.0293 (4)
N40.63251 (10)0.43124 (11)0.11020 (9)0.0278 (4)
N50.17217 (10)0.61229 (11)0.58171 (9)0.0282 (4)
N60.12292 (11)0.69798 (11)0.87100 (10)0.0288 (4)
N70.17878 (11)0.87251 (11)0.56238 (10)0.0323 (4)
N80.11292 (11)0.92261 (12)0.86025 (10)0.0366 (5)
O10.27458 (8)0.32442 (8)0.59861 (7)0.0258 (3)
O20.15139 (8)0.32254 (8)0.47828 (8)0.0261 (3)
O30.29694 (8)0.46274 (9)0.57468 (7)0.0264 (3)
O40.17042 (8)0.46186 (9)0.45631 (8)0.0276 (3)
O50.34002 (8)0.65227 (9)0.53076 (8)0.0264 (3)
O60.21338 (8)0.65290 (9)0.41190 (7)0.0255 (3)
O70.34491 (8)0.79475 (8)0.52535 (7)0.0257 (3)
O80.22380 (8)0.79515 (8)0.40295 (7)0.0260 (3)
O90.31780 (8)0.99028 (9)0.55560 (8)0.0297 (3)
O100.20075 (8)0.99439 (9)0.42843 (8)0.0291 (3)
O110.28663 (8)1.12423 (9)0.58783 (8)0.0279 (3)
O120.16451 (8)1.12527 (9)0.46592 (8)0.0300 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.02612 (14)0.02083 (14)0.02965 (12)0.00005 (10)0.00133 (10)0.00079 (10)
Zn20.02633 (14)0.02078 (13)0.02820 (12)0.00085 (10)0.00231 (10)0.00079 (10)
Zn30.02671 (14)0.02133 (14)0.02895 (12)0.00037 (10)0.00289 (10)0.00026 (10)
C10.0320 (13)0.0521 (16)0.0285 (11)0.0021 (11)0.0017 (10)0.0030 (10)
C20.0239 (12)0.0536 (16)0.0342 (11)0.0004 (11)0.0011 (10)0.0064 (11)
C30.0278 (12)0.0323 (13)0.0306 (11)0.0010 (10)0.0037 (9)0.0013 (9)
C40.0290 (13)0.0645 (18)0.0287 (11)0.0031 (12)0.0002 (10)0.0003 (11)
C50.0252 (13)0.0640 (18)0.0357 (12)0.0052 (11)0.0014 (10)0.0030 (11)
C60.0384 (14)0.0381 (14)0.0313 (11)0.0023 (11)0.0053 (10)0.0007 (10)
C70.0280 (12)0.0369 (14)0.0357 (11)0.0031 (10)0.0021 (10)0.0005 (10)
C80.0255 (12)0.0325 (13)0.0314 (11)0.0028 (10)0.0045 (9)0.0051 (9)
C90.0305 (13)0.0459 (15)0.0287 (11)0.0007 (11)0.0010 (10)0.0027 (10)
C100.0241 (12)0.0443 (15)0.0404 (12)0.0000 (10)0.0042 (10)0.0078 (10)
C110.0310 (13)0.0427 (15)0.0286 (11)0.0042 (11)0.0006 (9)0.0009 (10)
C120.0262 (12)0.0458 (15)0.0342 (11)0.0060 (10)0.0010 (10)0.0011 (10)
C130.0277 (12)0.0293 (13)0.0323 (11)0.0012 (9)0.0036 (9)0.0041 (9)
C140.0336 (13)0.0472 (15)0.0251 (10)0.0076 (11)0.0007 (10)0.0030 (10)
C150.0270 (13)0.0465 (15)0.0347 (12)0.0080 (11)0.0003 (10)0.0041 (10)
C160.0241 (12)0.0379 (14)0.0355 (11)0.0018 (10)0.0011 (9)0.0037 (10)
C170.0320 (13)0.0412 (14)0.0286 (11)0.0017 (10)0.0002 (9)0.0065 (10)
C180.0268 (12)0.0307 (13)0.0313 (11)0.0040 (9)0.0040 (9)0.0001 (9)
C190.0243 (12)0.0464 (15)0.0350 (11)0.0020 (10)0.0001 (9)0.0065 (10)
C200.0304 (13)0.0451 (15)0.0294 (11)0.0028 (11)0.0009 (10)0.0088 (10)
C210.0244 (12)0.0440 (15)0.0344 (11)0.0066 (10)0.0006 (10)0.0041 (10)
C220.0299 (13)0.0459 (15)0.0262 (10)0.0053 (10)0.0001 (9)0.0037 (10)
C230.0244 (12)0.0272 (12)0.0320 (11)0.0006 (9)0.0045 (9)0.0031 (9)
C240.0237 (12)0.0412 (14)0.0344 (11)0.0042 (10)0.0009 (9)0.0016 (10)
C250.0295 (13)0.0389 (14)0.0272 (10)0.0010 (10)0.0011 (9)0.0018 (9)
C260.0317 (13)0.0341 (13)0.0297 (11)0.0002 (10)0.0025 (10)0.0055 (9)
C270.0252 (12)0.0378 (14)0.0353 (11)0.0008 (10)0.0014 (10)0.0039 (10)
C280.0259 (12)0.0283 (12)0.0305 (10)0.0025 (9)0.0029 (9)0.0017 (9)
C290.0307 (13)0.0383 (14)0.0304 (11)0.0003 (10)0.0018 (10)0.0059 (9)
C300.0242 (12)0.0380 (14)0.0376 (12)0.0017 (10)0.0026 (10)0.0026 (10)
C310.0275 (13)0.0397 (15)0.0407 (12)0.0034 (10)0.0038 (10)0.0051 (10)
C320.0317 (13)0.0428 (14)0.0277 (10)0.0003 (10)0.0021 (10)0.0022 (10)
C330.0285 (12)0.0319 (13)0.0314 (11)0.0034 (10)0.0028 (10)0.0001 (9)
C340.0244 (12)0.0542 (16)0.0343 (11)0.0009 (11)0.0014 (10)0.0038 (11)
C350.0320 (13)0.0523 (16)0.0294 (11)0.0050 (11)0.0002 (10)0.0009 (10)
C360.0456 (15)0.0323 (13)0.0284 (11)0.0049 (11)0.0039 (10)0.0011 (9)
C370.0310 (13)0.0349 (14)0.0351 (11)0.0006 (10)0.0007 (10)0.0002 (10)
C380.0281 (12)0.0311 (13)0.0303 (10)0.0014 (9)0.0052 (9)0.0044 (9)
C390.0320 (13)0.0477 (15)0.0284 (10)0.0024 (11)0.0017 (10)0.0005 (10)
C400.0277 (13)0.0484 (16)0.0407 (12)0.0009 (11)0.0074 (10)0.0051 (11)
C410.0197 (10)0.0237 (12)0.0223 (9)0.0026 (9)0.0054 (8)0.0001 (8)
C420.0207 (11)0.0239 (12)0.0244 (9)0.0008 (9)0.0065 (8)0.0013 (9)
C430.0208 (11)0.0250 (12)0.0227 (9)0.0004 (9)0.0065 (8)0.0005 (9)
C440.0192 (11)0.0250 (12)0.0225 (9)0.0008 (9)0.0055 (8)0.0015 (9)
C450.0230 (11)0.0258 (12)0.0244 (10)0.0014 (9)0.0028 (8)0.0016 (9)
C460.0223 (11)0.0262 (12)0.0257 (10)0.0018 (9)0.0038 (8)0.0019 (9)
N10.0278 (10)0.0383 (12)0.0314 (9)0.0012 (8)0.0029 (8)0.0001 (8)
N20.0336 (11)0.0371 (12)0.0350 (10)0.0029 (9)0.0088 (9)0.0036 (8)
N30.0280 (10)0.0297 (11)0.0306 (9)0.0018 (8)0.0052 (8)0.0006 (8)
N40.0281 (10)0.0269 (10)0.0289 (9)0.0041 (8)0.0041 (8)0.0017 (7)
N50.0265 (10)0.0299 (11)0.0282 (9)0.0000 (8)0.0030 (8)0.0004 (7)
N60.0288 (10)0.0268 (10)0.0313 (9)0.0022 (8)0.0061 (8)0.0006 (8)
N70.0300 (11)0.0367 (11)0.0305 (9)0.0010 (8)0.0041 (8)0.0012 (8)
N80.0384 (12)0.0370 (12)0.0355 (10)0.0026 (9)0.0099 (9)0.0022 (9)
O10.0267 (8)0.0220 (8)0.0280 (7)0.0005 (6)0.0027 (6)0.0024 (6)
O20.0241 (8)0.0200 (8)0.0335 (7)0.0010 (6)0.0033 (6)0.0009 (6)
O30.0258 (8)0.0252 (8)0.0277 (7)0.0038 (6)0.0015 (6)0.0003 (6)
O40.0266 (8)0.0237 (8)0.0320 (7)0.0001 (6)0.0023 (6)0.0049 (6)
O50.0249 (8)0.0220 (8)0.0318 (7)0.0010 (6)0.0019 (6)0.0038 (6)
O60.0248 (8)0.0239 (8)0.0276 (7)0.0030 (6)0.0008 (6)0.0002 (6)
O70.0249 (8)0.0225 (8)0.0291 (7)0.0019 (6)0.0018 (6)0.0002 (6)
O80.0261 (8)0.0235 (8)0.0276 (7)0.0014 (6)0.0028 (6)0.0014 (6)
O90.0296 (8)0.0253 (8)0.0331 (7)0.0053 (6)0.0056 (6)0.0015 (6)
O100.0315 (8)0.0244 (8)0.0305 (7)0.0013 (6)0.0036 (6)0.0033 (6)
O110.0298 (8)0.0236 (8)0.0295 (7)0.0016 (6)0.0029 (6)0.0023 (6)
O120.0282 (8)0.0264 (8)0.0345 (7)0.0043 (7)0.0052 (6)0.0016 (6)
Geometric parameters (Å, º) top
Zn1—O22.0630 (13)C21—C221.379 (2)
Zn1—O12.0668 (13)C21—H210.9300
Zn1—O12i2.0749 (14)C22—C231.389 (3)
Zn1—O11i2.0806 (14)C22—H220.9300
Zn1—N6ii2.1601 (15)C23—C241.389 (3)
Zn1—N12.3370 (16)C23—C281.489 (2)
Zn2—O32.0733 (13)C24—C251.378 (3)
Zn2—O62.0782 (13)C24—H240.9300
Zn2—O42.0866 (14)C25—N51.332 (3)
Zn2—O52.0880 (14)C25—H250.9300
Zn2—N32.2152 (15)C26—N61.335 (3)
Zn2—N52.2419 (15)C26—C271.380 (3)
Zn3—O72.0601 (13)C26—H260.9300
Zn3—O82.0800 (13)C27—C281.388 (3)
Zn3—O102.0886 (14)C27—H270.9300
Zn3—O92.0910 (14)C28—C291.395 (3)
Zn3—N4iii2.1497 (15)C29—C301.379 (3)
Zn3—N72.2669 (16)C29—H290.9300
C1—N11.332 (3)C30—N61.344 (3)
C1—C21.373 (3)C30—H300.9300
C1—H10.9300C31—N71.335 (3)
C2—C31.392 (3)C31—C321.376 (3)
C2—H20.9300C31—H310.9300
C3—C41.389 (3)C32—C331.393 (3)
C3—C81.489 (3)C32—H320.9300
C4—C51.374 (3)C33—C341.392 (3)
C4—H40.9300C33—C381.485 (2)
C5—N11.331 (3)C34—C351.366 (3)
C5—H50.9300C34—H340.9300
C6—N21.328 (3)C35—N71.341 (3)
C6—C71.380 (3)C35—H350.9300
C6—H60.9300C36—N81.330 (3)
C7—C81.386 (3)C36—C371.383 (3)
C7—H70.9300C36—H360.9300
C8—C91.396 (3)C37—C381.386 (3)
C9—C101.375 (3)C37—H370.9300
C9—H90.9300C38—C391.390 (3)
C10—N21.334 (3)C39—C401.380 (3)
C10—H100.9300C39—H390.9300
C11—N31.334 (3)C40—N81.325 (3)
C11—C121.378 (3)C40—H400.9300
C11—H110.9300C41—O31.255 (2)
C12—C131.385 (3)C41—O11.256 (2)
C12—H120.9300C41—C421.561 (3)
C13—C141.387 (3)C42—O41.250 (2)
C13—C181.485 (3)C42—O21.256 (2)
C14—C151.378 (3)C43—O51.254 (2)
C14—H140.9300C43—O71.255 (2)
C15—N31.335 (2)C43—C441.565 (3)
C15—H150.9300C44—O61.254 (2)
C16—N41.340 (2)C44—O81.255 (2)
C16—C171.376 (3)C45—O91.250 (2)
C16—H160.9300C45—O111.253 (2)
C17—C181.392 (3)C45—C461.565 (3)
C17—H170.9300C46—O101.251 (2)
C18—C191.386 (3)C46—O121.252 (2)
C19—C201.381 (3)N4—Zn3iv2.1497 (15)
C19—H190.9300N6—Zn1v2.1601 (15)
C20—N41.333 (3)O11—Zn1vi2.0806 (14)
C20—H200.9300O12—Zn1vi2.0749 (14)
C21—N51.335 (2)
O2—Zn1—O182.00 (5)C21—C22—C23119.30 (19)
O2—Zn1—O12i96.63 (5)C21—C22—H22120.4
O1—Zn1—O12i169.73 (5)C23—C22—H22120.4
O2—Zn1—O11i170.69 (5)C22—C23—C24117.10 (17)
O1—Zn1—O11i98.11 (5)C22—C23—C28121.62 (18)
O12i—Zn1—O11i81.59 (5)C24—C23—C28121.28 (19)
O2—Zn1—N6ii98.48 (6)C25—C24—C23119.20 (19)
O1—Zn1—N6ii99.29 (6)C25—C24—H24120.4
O12i—Zn1—N6ii90.98 (6)C23—C24—H24120.4
O11i—Zn1—N6ii90.70 (6)N5—C25—C24124.12 (19)
O2—Zn1—N186.24 (6)N5—C25—H25117.9
O1—Zn1—N186.05 (6)C24—C25—H25117.9
O12i—Zn1—N183.70 (6)N6—C26—C27123.73 (19)
O11i—Zn1—N184.48 (6)N6—C26—H26118.1
N6ii—Zn1—N1173.28 (6)C27—C26—H26118.1
O3—Zn2—O6178.52 (5)C26—C27—C28119.5 (2)
O3—Zn2—O481.87 (5)C26—C27—H27120.3
O6—Zn2—O498.51 (5)C28—C27—H27120.3
O3—Zn2—O597.62 (5)C27—C28—C29117.25 (17)
O6—Zn2—O581.97 (5)C27—C28—C23121.85 (18)
O4—Zn2—O5178.58 (5)C29—C28—C23120.90 (18)
O3—Zn2—N389.68 (6)C30—C29—C28119.29 (19)
O6—Zn2—N391.76 (6)C30—C29—H29120.4
O4—Zn2—N389.02 (6)C28—C29—H29120.4
O5—Zn2—N392.30 (6)N6—C30—C29123.6 (2)
O3—Zn2—N591.65 (5)N6—C30—H30118.2
O6—Zn2—N586.90 (5)C29—C30—H30118.2
O4—Zn2—N592.02 (6)N7—C31—C32123.8 (2)
O5—Zn2—N586.67 (6)N7—C31—H31118.1
N3—Zn2—N5178.42 (6)C32—C31—H31118.1
O7—Zn3—O881.75 (5)C31—C32—C33119.19 (19)
O7—Zn3—O10174.68 (5)C31—C32—H32120.4
O8—Zn3—O1098.57 (5)C33—C32—H32120.4
O7—Zn3—O997.64 (5)C34—C33—C32117.10 (18)
O8—Zn3—O9171.61 (5)C34—C33—C38121.42 (19)
O10—Zn3—O981.26 (5)C32—C33—C38121.48 (18)
O7—Zn3—N4iii95.43 (6)C35—C34—C33119.5 (2)
O8—Zn3—N4iii97.22 (6)C35—C34—H34120.2
O10—Zn3—N4iii89.80 (6)C33—C34—H34120.2
O9—Zn3—N4iii91.17 (6)N7—C35—C34123.81 (19)
O7—Zn3—N789.82 (6)N7—C35—H35118.1
O8—Zn3—N787.61 (6)C34—C35—H35118.1
O10—Zn3—N784.89 (6)N8—C36—C37124.0 (2)
O9—Zn3—N784.01 (6)N8—C36—H36118.0
N4iii—Zn3—N7173.31 (6)C37—C36—H36118.0
N1—C1—C2124.09 (19)C36—C37—C38118.7 (2)
N1—C1—H1118.0C36—C37—H37120.7
C2—C1—H1118.0C38—C37—H37120.7
C1—C2—C3119.2 (2)C37—C38—C39117.81 (18)
C1—C2—H2120.4C37—C38—C33121.99 (19)
C3—C2—H2120.4C39—C38—C33120.19 (18)
C4—C3—C2117.02 (18)C40—C39—C38118.7 (2)
C4—C3—C8121.79 (18)C40—C39—H39120.7
C2—C3—C8121.19 (19)C38—C39—H39120.7
C5—C4—C3119.3 (2)N8—C40—C39124.2 (2)
C5—C4—H4120.4N8—C40—H40117.9
C3—C4—H4120.4C39—C40—H40117.9
N1—C5—C4124.1 (2)O3—C41—O1124.80 (19)
N1—C5—H5118.0O3—C41—C42117.75 (17)
C4—C5—H5118.0O1—C41—C42117.44 (17)
N2—C6—C7124.1 (2)O4—C42—O2125.43 (19)
N2—C6—H6117.9O4—C42—C41117.63 (17)
C7—C6—H6117.9O2—C42—C41116.93 (17)
C6—C7—C8118.9 (2)O5—C43—O7124.97 (19)
C6—C7—H7120.5O5—C43—C44117.81 (18)
C8—C7—H7120.5O7—C43—C44117.21 (18)
C7—C8—C9117.50 (18)O6—C44—O8125.37 (19)
C7—C8—C3121.56 (19)O6—C44—C43117.63 (17)
C9—C8—C3120.94 (18)O8—C44—C43117.00 (17)
C10—C9—C8118.7 (2)O9—C45—O11125.12 (19)
C10—C9—H9120.6O9—C45—C46117.31 (17)
C8—C9—H9120.6O11—C45—C46117.57 (18)
N2—C10—C9124.3 (2)O10—C46—O12125.19 (19)
N2—C10—H10117.9O10—C46—C45117.76 (18)
C9—C10—H10117.9O12—C46—C45117.04 (17)
N3—C11—C12123.64 (19)C5—N1—C1116.36 (17)
N3—C11—H11118.2C5—N1—Zn1122.40 (15)
C12—C11—H11118.2C1—N1—Zn1120.91 (13)
C11—C12—C13119.4 (2)C6—N2—C10116.43 (17)
C11—C12—H12120.3C11—N3—C15116.47 (17)
C13—C12—H12120.3C11—N3—Zn2122.55 (13)
C12—C13—C14117.37 (18)C15—N3—Zn2120.15 (14)
C12—C13—C18121.92 (19)C20—N4—C16116.75 (16)
C14—C13—C18120.71 (18)C20—N4—Zn3iv120.91 (13)
C15—C14—C13119.01 (19)C16—N4—Zn3iv122.08 (14)
C15—C14—H14120.5C25—N5—C21116.27 (16)
C13—C14—H14120.5C25—N5—Zn2122.18 (13)
N3—C15—C14124.0 (2)C21—N5—Zn2120.75 (14)
N3—C15—H15118.0C26—N6—C30116.68 (16)
C14—C15—H15118.0C26—N6—Zn1v120.75 (13)
N4—C16—C17123.74 (19)C30—N6—Zn1v122.56 (14)
N4—C16—H16118.1C31—N7—C35116.53 (17)
C17—C16—H16118.1C31—N7—Zn3121.17 (14)
C16—C17—C18119.03 (19)C35—N7—Zn3120.47 (13)
C16—C17—H17120.5C40—N8—C36116.69 (17)
C18—C17—H17120.5C41—O1—Zn1110.60 (12)
C19—C18—C17117.55 (18)C42—O2—Zn1111.23 (13)
C19—C18—C13121.15 (19)C41—O3—Zn2111.22 (12)
C17—C18—C13121.30 (18)C42—O4—Zn2111.04 (13)
C20—C19—C18119.3 (2)C43—O5—Zn2109.81 (12)
C20—C19—H19120.4C44—O6—Zn2110.48 (12)
C18—C19—H19120.4C43—O7—Zn3111.57 (13)
N4—C20—C19123.62 (19)C44—O8—Zn3110.84 (12)
N4—C20—H20118.2C45—O9—Zn3111.79 (13)
C19—C20—H20118.2C46—O10—Zn3111.46 (13)
N5—C21—C22123.9 (2)C45—O11—Zn1vi111.09 (13)
N5—C21—H21118.0C46—O12—Zn1vi111.31 (13)
C22—C21—H21118.0
N1—C1—C2—C30.2 (4)O4—Zn2—N3—C1571.21 (16)
C1—C2—C3—C40.1 (3)O5—Zn2—N3—C15109.31 (16)
C1—C2—C3—C8179.2 (2)C19—C20—N4—C161.4 (3)
C2—C3—C4—C50.2 (3)C19—C20—N4—Zn3iv172.85 (17)
C8—C3—C4—C5179.5 (2)C17—C16—N4—C202.5 (3)
C3—C4—C5—N10.8 (4)C17—C16—N4—Zn3iv171.72 (16)
N2—C6—C7—C80.5 (3)C24—C25—N5—C213.2 (3)
C6—C7—C8—C90.0 (3)C24—C25—N5—Zn2166.59 (16)
C6—C7—C8—C3179.89 (19)C22—C21—N5—C252.4 (3)
C4—C3—C8—C727.1 (3)C22—C21—N5—Zn2167.55 (17)
C2—C3—C8—C7152.2 (2)O3—Zn2—N5—C25137.77 (16)
C4—C3—C8—C9153.0 (2)O6—Zn2—N5—C2542.57 (16)
C2—C3—C8—C927.7 (3)O4—Zn2—N5—C2555.85 (16)
C7—C8—C9—C100.5 (3)O5—Zn2—N5—C25124.69 (16)
C3—C8—C9—C10179.63 (19)O3—Zn2—N5—C2131.62 (16)
C8—C9—C10—N20.6 (3)O6—Zn2—N5—C21148.04 (16)
N3—C11—C12—C130.0 (3)O4—Zn2—N5—C21113.54 (16)
C11—C12—C13—C142.9 (3)O5—Zn2—N5—C2165.92 (16)
C11—C12—C13—C18177.3 (2)C27—C26—N6—C300.4 (3)
C12—C13—C14—C153.4 (3)C27—C26—N6—Zn1v179.26 (16)
C18—C13—C14—C15176.8 (2)C29—C30—N6—C261.4 (3)
C13—C14—C15—N31.1 (4)C29—C30—N6—Zn1v179.69 (16)
N4—C16—C17—C181.3 (3)C32—C31—N7—C352.1 (3)
C16—C17—C18—C191.0 (3)C32—C31—N7—Zn3162.52 (17)
C16—C17—C18—C13179.26 (19)C34—C35—N7—C312.4 (3)
C12—C13—C18—C19142.9 (2)C34—C35—N7—Zn3162.39 (18)
C14—C13—C18—C1936.8 (3)O7—Zn3—N7—C3143.48 (17)
C12—C13—C18—C1737.4 (3)O8—Zn3—N7—C31125.24 (17)
C14—C13—C18—C17142.9 (2)O10—Zn3—N7—C31135.94 (17)
C17—C18—C19—C202.0 (3)O9—Zn3—N7—C3154.22 (16)
C13—C18—C19—C20178.3 (2)O7—Zn3—N7—C35152.46 (17)
C18—C19—C20—N40.8 (3)O8—Zn3—N7—C3570.71 (17)
N5—C21—C22—C230.5 (3)O10—Zn3—N7—C3528.12 (17)
C21—C22—C23—C242.7 (3)O9—Zn3—N7—C35109.84 (17)
C21—C22—C23—C28177.1 (2)C39—C40—N8—C360.2 (3)
C22—C23—C24—C252.0 (3)C37—C36—N8—C400.7 (3)
C28—C23—C24—C25177.85 (19)O3—C41—O1—Zn1168.46 (13)
C23—C24—C25—N51.1 (3)C42—C41—O1—Zn111.04 (17)
N6—C26—C27—C281.1 (3)O2—Zn1—O1—C4111.84 (11)
C26—C27—C28—C291.5 (3)O12i—Zn1—O1—C4171.2 (3)
C26—C27—C28—C23178.41 (19)O11i—Zn1—O1—C41158.75 (11)
C22—C23—C28—C2733.0 (3)N6ii—Zn1—O1—C41109.19 (12)
C24—C23—C28—C27147.2 (2)N1—Zn1—O1—C4174.91 (12)
C22—C23—C28—C29147.2 (2)O4—C42—O2—Zn1170.32 (14)
C24—C23—C28—C2932.7 (3)C41—C42—O2—Zn18.10 (18)
C27—C28—C29—C300.5 (3)O1—Zn1—O2—C4210.74 (11)
C23—C28—C29—C30179.4 (2)O12i—Zn1—O2—C42158.99 (11)
C28—C29—C30—N61.0 (3)N6ii—Zn1—O2—C42109.01 (12)
N7—C31—C32—C330.1 (3)N1—Zn1—O2—C4275.79 (12)
C31—C32—C33—C341.8 (3)O1—C41—O3—Zn2175.26 (13)
C31—C32—C33—C38178.37 (19)C42—C41—O3—Zn24.24 (18)
C32—C33—C34—C351.6 (3)O4—Zn2—O3—C415.58 (11)
C38—C33—C34—C35178.6 (2)O5—Zn2—O3—C41175.76 (11)
C33—C34—C35—N70.5 (4)N3—Zn2—O3—C4183.48 (12)
N8—C36—C37—C380.1 (3)N5—Zn2—O3—C4197.38 (12)
C36—C37—C38—C390.9 (3)O2—C42—O4—Zn2172.59 (14)
C36—C37—C38—C33179.45 (19)C41—C42—O4—Zn25.81 (18)
C34—C33—C38—C37148.9 (2)O3—Zn2—O4—C426.22 (11)
C32—C33—C38—C3731.3 (3)O6—Zn2—O4—C42175.23 (11)
C34—C33—C38—C3930.7 (3)N3—Zn2—O4—C4283.60 (12)
C32—C33—C38—C39149.1 (2)N5—Zn2—O4—C4297.60 (12)
C37—C38—C39—C401.4 (3)O7—C43—O5—Zn2166.57 (14)
C33—C38—C39—C40179.0 (2)C44—C43—O5—Zn212.78 (18)
C38—C39—C40—N80.9 (3)O3—Zn2—O5—C43165.12 (11)
O3—C41—C42—O41.2 (2)O6—Zn2—O5—C4313.44 (11)
O1—C41—C42—O4179.30 (15)N3—Zn2—O5—C43104.89 (12)
O3—C41—C42—O2177.38 (15)N5—Zn2—O5—C4373.90 (12)
O1—C41—C42—O22.2 (2)O8—C44—O6—Zn2170.12 (14)
O5—C43—C44—O63.0 (2)C43—C44—O6—Zn28.79 (18)
O7—C43—C44—O6176.43 (15)O4—Zn2—O6—C44166.74 (11)
O5—C43—C44—O8178.02 (15)O5—Zn2—O6—C4411.91 (11)
O7—C43—C44—O82.6 (2)N3—Zn2—O6—C44103.98 (12)
O9—C45—C46—O103.0 (2)N5—Zn2—O6—C4475.17 (12)
O11—C45—C46—O10177.17 (16)O5—C43—O7—Zn3172.01 (14)
O9—C45—C46—O12176.03 (16)C44—C43—O7—Zn37.35 (18)
O11—C45—C46—O123.8 (2)O8—Zn3—O7—C4310.01 (11)
C4—C5—N1—C11.0 (4)O9—Zn3—O7—C43161.54 (11)
C4—C5—N1—Zn1172.40 (18)N4iii—Zn3—O7—C43106.55 (12)
C2—C1—N1—C50.7 (3)N7—Zn3—O7—C4377.60 (12)
C2—C1—N1—Zn1172.84 (17)O6—C44—O8—Zn3168.12 (14)
O2—Zn1—N1—C546.49 (18)C43—C44—O8—Zn310.79 (18)
O1—Zn1—N1—C5128.72 (18)O7—Zn3—O8—C4411.39 (11)
O12i—Zn1—N1—C550.61 (18)O10—Zn3—O8—C44163.25 (11)
O11i—Zn1—N1—C5132.73 (18)N4iii—Zn3—O8—C44105.86 (12)
O2—Zn1—N1—C1140.38 (17)N7—Zn3—O8—C4478.78 (12)
O1—Zn1—N1—C158.15 (17)O11—C45—O9—Zn3177.59 (14)
O12i—Zn1—N1—C1122.52 (17)C46—C45—O9—Zn32.18 (19)
O11i—Zn1—N1—C140.40 (17)O7—Zn3—O9—C45170.57 (12)
C7—C6—N2—C100.4 (3)O10—Zn3—O9—C454.18 (12)
C9—C10—N2—C60.2 (3)N4iii—Zn3—O9—C4593.79 (13)
C12—C11—N3—C152.4 (3)N7—Zn3—O9—C4581.55 (13)
C12—C11—N3—Zn2167.20 (16)O12—C46—O10—Zn3172.59 (15)
C14—C15—N3—C111.8 (3)C45—C46—O10—Zn36.39 (19)
C14—C15—N3—Zn2168.05 (17)O8—Zn3—O10—C46165.69 (12)
O3—Zn2—N3—C1137.72 (17)N4iii—Zn3—O10—C4697.04 (13)
O6—Zn2—N3—C11141.92 (17)N7—Zn3—O10—C4678.89 (13)
O4—Zn2—N3—C11119.59 (17)O9—C45—O11—Zn1vi174.62 (15)
O5—Zn2—N3—C1159.90 (17)C46—C45—O11—Zn1vi5.60 (19)
O3—Zn2—N3—C15153.08 (16)O10—C46—O12—Zn1vi170.15 (15)
O6—Zn2—N3—C1527.28 (17)C45—C46—O12—Zn1vi10.86 (19)
Symmetry codes: (i) x, y1, z; (ii) x, y1/2, z+3/2; (iii) x+1, y+1/2, z+1/2; (iv) x+1, y1/2, z+1/2; (v) x, y+1/2, z+3/2; (vi) x, y+1, z.
 

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