Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803003532/ac6030sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803003532/ac6030Isup2.hkl |
CCDC reference: 206740
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.
[Zn3(C10H8N2)4(C2O4)3] | F(000) = 2200 |
Mr = 1084.91 | Dx = 1.741 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 16.2513 (9) Å | Cell parameters from 9955 reflections |
b = 15.5891 (9) Å | θ = 2.6–26.4° |
c = 16.376 (1) Å | µ = 1.81 mm−1 |
β = 94.000 (1)° | T = 293 K |
V = 4138.6 (4) Å3 | Bar, yellow |
Z = 4 | 0.42 × 0.40 × 0.22 mm |
Bruker SMART APEX CCD area-detector diffractometer | 8443 independent reflections |
Radiation source: sealed tube | 6454 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.034 |
ω scans | θmax = 26.4°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 1999) | h = −14→20 |
Tmin = 0.415, Tmax = 0.594 | k = −18→19 |
32100 measured reflections | l = −20→20 |
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)] = 0.027 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.062 | H-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 parameters | Δρmax = 0.47 e Å−3 |
0 restraints | Δρmin = −0.37 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Zn1 | 0.212276 (14) | 0.223542 (15) | 0.540413 (13) | 0.02556 (7) | |
Zn2 | 0.255888 (14) | 0.556875 (15) | 0.492162 (13) | 0.02508 (7) | |
Zn3 | 0.277022 (14) | 0.894585 (15) | 0.472939 (13) | 0.02562 (7) | |
C1 | 0.38994 (14) | 0.22574 (15) | 0.46346 (13) | 0.0375 (6) | |
H1 | 0.4064 | 0.2224 | 0.5189 | 0.045* | |
C2 | 0.44983 (13) | 0.22198 (15) | 0.40844 (12) | 0.0373 (6) | |
H2 | 0.5050 | 0.2162 | 0.4266 | 0.045* | |
C3 | 0.42690 (13) | 0.22697 (14) | 0.32504 (12) | 0.0301 (5) | |
C4 | 0.34332 (14) | 0.23570 (16) | 0.30266 (13) | 0.0408 (6) | |
H4 | 0.3248 | 0.2391 | 0.2477 | 0.049* | |
C5 | 0.28830 (14) | 0.23925 (16) | 0.36259 (13) | 0.0417 (6) | |
H5 | 0.2327 | 0.2459 | 0.3464 | 0.050* | |
C6 | 0.53035 (14) | 0.18777 (14) | 0.12985 (12) | 0.0358 (5) | |
H6 | 0.5162 | 0.1664 | 0.0777 | 0.043* | |
C7 | 0.46970 (13) | 0.19094 (14) | 0.18474 (12) | 0.0336 (5) | |
H7 | 0.4164 | 0.1725 | 0.1695 | 0.040* | |
C8 | 0.48948 (13) | 0.22205 (13) | 0.26295 (12) | 0.0297 (5) | |
C9 | 0.57061 (13) | 0.24864 (14) | 0.28169 (12) | 0.0351 (5) | |
H9 | 0.5869 | 0.2696 | 0.3335 | 0.042* | |
C10 | 0.62594 (13) | 0.24326 (14) | 0.22212 (13) | 0.0362 (5) | |
H10 | 0.6797 | 0.2617 | 0.2352 | 0.043* | |
C11 | 0.41434 (13) | 0.47581 (14) | 0.42421 (12) | 0.0342 (5) | |
H11 | 0.4280 | 0.4658 | 0.4795 | 0.041* | |
C12 | 0.47297 (13) | 0.45895 (15) | 0.36946 (12) | 0.0354 (5) | |
H12 | 0.5246 | 0.4381 | 0.3879 | 0.043* | |
C13 | 0.45432 (13) | 0.47331 (14) | 0.28676 (12) | 0.0297 (5) | |
C14 | 0.37499 (13) | 0.50060 (14) | 0.26297 (12) | 0.0354 (5) | |
H14 | 0.3587 | 0.5081 | 0.2079 | 0.042* | |
C15 | 0.32071 (13) | 0.51639 (14) | 0.32223 (12) | 0.0362 (5) | |
H15 | 0.2681 | 0.5356 | 0.3054 | 0.043* | |
C16 | 0.65365 (13) | 0.46602 (14) | 0.18354 (12) | 0.0325 (5) | |
H16 | 0.7085 | 0.4812 | 0.1954 | 0.039* | |
C17 | 0.59877 (13) | 0.48058 (14) | 0.24234 (12) | 0.0340 (5) | |
H17 | 0.6167 | 0.5039 | 0.2928 | 0.041* | |
C18 | 0.51600 (12) | 0.45993 (14) | 0.22524 (12) | 0.0295 (5) | |
C19 | 0.49316 (13) | 0.42671 (15) | 0.14846 (12) | 0.0353 (5) | |
H19 | 0.4382 | 0.4137 | 0.1339 | 0.042* | |
C20 | 0.55288 (13) | 0.41317 (15) | 0.09384 (12) | 0.0350 (5) | |
H20 | 0.5367 | 0.3902 | 0.0428 | 0.042* | |
C21 | 0.19228 (13) | 0.60883 (14) | 0.66209 (12) | 0.0343 (5) | |
H21 | 0.2460 | 0.5934 | 0.6794 | 0.041* | |
C22 | 0.13816 (13) | 0.62677 (14) | 0.72105 (12) | 0.0341 (5) | |
H22 | 0.1556 | 0.6238 | 0.7763 | 0.041* | |
C23 | 0.05740 (12) | 0.64931 (13) | 0.69704 (12) | 0.0277 (5) | |
C24 | 0.03684 (13) | 0.65605 (14) | 0.61352 (12) | 0.0331 (5) | |
H24 | −0.0160 | 0.6727 | 0.5944 | 0.040* | |
C25 | 0.09566 (13) | 0.63775 (14) | 0.55936 (12) | 0.0319 (5) | |
H25 | 0.0810 | 0.6436 | 0.5037 | 0.038* | |
C26 | −0.04330 (13) | 0.71637 (14) | 0.88759 (12) | 0.0318 (5) | |
H26 | −0.0276 | 0.7410 | 0.9380 | 0.038* | |
C27 | 0.01708 (13) | 0.70085 (14) | 0.83419 (12) | 0.0328 (5) | |
H27 | 0.0719 | 0.7140 | 0.8492 | 0.039* | |
C28 | −0.00467 (12) | 0.66540 (13) | 0.75795 (12) | 0.0282 (5) | |
C29 | −0.08766 (13) | 0.64538 (14) | 0.74024 (12) | 0.0331 (5) | |
H29 | −0.1051 | 0.6211 | 0.6901 | 0.040* | |
C30 | −0.14353 (13) | 0.66192 (14) | 0.79786 (12) | 0.0333 (5) | |
H30 | −0.1985 | 0.6473 | 0.7854 | 0.040* | |
C31 | 0.19895 (13) | 0.85781 (14) | 0.64158 (13) | 0.0359 (5) | |
H31 | 0.2528 | 0.8411 | 0.6568 | 0.043* | |
C32 | 0.14466 (13) | 0.86588 (14) | 0.70196 (12) | 0.0341 (5) | |
H32 | 0.1619 | 0.8549 | 0.7563 | 0.041* | |
C33 | 0.06367 (13) | 0.89068 (14) | 0.68067 (12) | 0.0306 (5) | |
C34 | 0.04187 (13) | 0.90353 (15) | 0.59786 (12) | 0.0377 (6) | |
H34 | −0.0119 | 0.9187 | 0.5805 | 0.045* | |
C35 | 0.10000 (13) | 0.89366 (15) | 0.54223 (12) | 0.0380 (6) | |
H35 | 0.0840 | 0.9021 | 0.4872 | 0.046* | |
C36 | −0.03329 (14) | 0.93902 (14) | 0.87765 (12) | 0.0354 (5) | |
H36 | −0.0169 | 0.9576 | 0.9302 | 0.042* | |
C37 | 0.02662 (14) | 0.93010 (14) | 0.82223 (12) | 0.0338 (5) | |
H37 | 0.0816 | 0.9423 | 0.8375 | 0.041* | |
C38 | 0.00307 (13) | 0.90262 (14) | 0.74354 (12) | 0.0297 (5) | |
C39 | −0.08019 (13) | 0.88669 (15) | 0.72434 (12) | 0.0361 (5) | |
H39 | −0.0988 | 0.8694 | 0.6719 | 0.043* | |
C40 | −0.13460 (14) | 0.89710 (15) | 0.78458 (13) | 0.0387 (6) | |
H40 | −0.1900 | 0.8855 | 0.7712 | 0.046* | |
C41 | 0.25879 (11) | 0.39357 (13) | 0.56133 (11) | 0.0217 (4) | |
C42 | 0.18684 (12) | 0.39300 (13) | 0.49296 (11) | 0.0228 (4) | |
C43 | 0.31635 (12) | 0.72336 (13) | 0.50210 (11) | 0.0226 (4) | |
C44 | 0.24516 (12) | 0.72363 (13) | 0.43260 (11) | 0.0220 (4) | |
C45 | 0.27700 (12) | 1.05784 (13) | 0.54514 (11) | 0.0244 (4) | |
C46 | 0.20833 (12) | 1.05928 (13) | 0.47324 (11) | 0.0246 (4) | |
N1 | 0.30966 (11) | 0.23381 (11) | 0.44239 (10) | 0.0325 (4) | |
N2 | 0.60758 (11) | 0.21336 (12) | 0.14674 (10) | 0.0349 (4) | |
N3 | 0.33911 (10) | 0.50573 (11) | 0.40233 (10) | 0.0293 (4) | |
N4 | 0.63251 (10) | 0.43124 (11) | 0.11020 (9) | 0.0278 (4) | |
N5 | 0.17217 (10) | 0.61229 (11) | 0.58171 (9) | 0.0282 (4) | |
N6 | −0.12292 (11) | 0.69798 (11) | 0.87100 (10) | 0.0288 (4) | |
N7 | 0.17878 (11) | 0.87251 (11) | 0.56238 (10) | 0.0323 (4) | |
N8 | −0.11292 (11) | 0.92261 (12) | 0.86025 (10) | 0.0366 (5) | |
O1 | 0.27458 (8) | 0.32442 (8) | 0.59861 (7) | 0.0258 (3) | |
O2 | 0.15139 (8) | 0.32254 (8) | 0.47828 (8) | 0.0261 (3) | |
O3 | 0.29694 (8) | 0.46274 (9) | 0.57468 (7) | 0.0264 (3) | |
O4 | 0.17042 (8) | 0.46186 (9) | 0.45631 (8) | 0.0276 (3) | |
O5 | 0.34002 (8) | 0.65227 (9) | 0.53076 (8) | 0.0264 (3) | |
O6 | 0.21338 (8) | 0.65290 (9) | 0.41190 (7) | 0.0255 (3) | |
O7 | 0.34491 (8) | 0.79475 (8) | 0.52535 (7) | 0.0257 (3) | |
O8 | 0.22380 (8) | 0.79515 (8) | 0.40295 (7) | 0.0260 (3) | |
O9 | 0.31780 (8) | 0.99028 (9) | 0.55560 (8) | 0.0297 (3) | |
O10 | 0.20075 (8) | 0.99439 (9) | 0.42843 (8) | 0.0291 (3) | |
O11 | 0.28663 (8) | 1.12423 (9) | 0.58783 (8) | 0.0279 (3) | |
O12 | 0.16451 (8) | 1.12527 (9) | 0.46592 (8) | 0.0300 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.02612 (14) | 0.02083 (14) | 0.02965 (12) | 0.00005 (10) | 0.00133 (10) | 0.00079 (10) |
Zn2 | 0.02633 (14) | 0.02078 (13) | 0.02820 (12) | −0.00085 (10) | 0.00231 (10) | 0.00079 (10) |
Zn3 | 0.02671 (14) | 0.02133 (14) | 0.02895 (12) | 0.00037 (10) | 0.00289 (10) | −0.00026 (10) |
C1 | 0.0320 (13) | 0.0521 (16) | 0.0285 (11) | −0.0021 (11) | 0.0017 (10) | 0.0030 (10) |
C2 | 0.0239 (12) | 0.0536 (16) | 0.0342 (11) | 0.0004 (11) | 0.0011 (10) | 0.0064 (11) |
C3 | 0.0278 (12) | 0.0323 (13) | 0.0306 (11) | −0.0010 (10) | 0.0037 (9) | 0.0013 (9) |
C4 | 0.0290 (13) | 0.0645 (18) | 0.0287 (11) | 0.0031 (12) | −0.0002 (10) | 0.0003 (11) |
C5 | 0.0252 (13) | 0.0640 (18) | 0.0357 (12) | 0.0052 (11) | 0.0014 (10) | 0.0030 (11) |
C6 | 0.0384 (14) | 0.0381 (14) | 0.0313 (11) | 0.0023 (11) | 0.0053 (10) | −0.0007 (10) |
C7 | 0.0280 (12) | 0.0369 (14) | 0.0357 (11) | −0.0031 (10) | 0.0021 (10) | 0.0005 (10) |
C8 | 0.0255 (12) | 0.0325 (13) | 0.0314 (11) | 0.0028 (10) | 0.0045 (9) | 0.0051 (9) |
C9 | 0.0305 (13) | 0.0459 (15) | 0.0287 (11) | −0.0007 (11) | 0.0010 (10) | 0.0027 (10) |
C10 | 0.0241 (12) | 0.0443 (15) | 0.0404 (12) | 0.0000 (10) | 0.0042 (10) | 0.0078 (10) |
C11 | 0.0310 (13) | 0.0427 (15) | 0.0286 (11) | 0.0042 (11) | 0.0006 (9) | 0.0009 (10) |
C12 | 0.0262 (12) | 0.0458 (15) | 0.0342 (11) | 0.0060 (10) | 0.0010 (10) | −0.0011 (10) |
C13 | 0.0277 (12) | 0.0293 (13) | 0.0323 (11) | 0.0012 (9) | 0.0036 (9) | −0.0041 (9) |
C14 | 0.0336 (13) | 0.0472 (15) | 0.0251 (10) | 0.0076 (11) | 0.0007 (10) | −0.0030 (10) |
C15 | 0.0270 (13) | 0.0465 (15) | 0.0347 (12) | 0.0080 (11) | −0.0003 (10) | −0.0041 (10) |
C16 | 0.0241 (12) | 0.0379 (14) | 0.0355 (11) | −0.0018 (10) | 0.0011 (9) | −0.0037 (10) |
C17 | 0.0320 (13) | 0.0412 (14) | 0.0286 (11) | 0.0017 (10) | 0.0002 (9) | −0.0065 (10) |
C18 | 0.0268 (12) | 0.0307 (13) | 0.0313 (11) | 0.0040 (9) | 0.0040 (9) | −0.0001 (9) |
C19 | 0.0243 (12) | 0.0464 (15) | 0.0350 (11) | 0.0020 (10) | −0.0001 (9) | −0.0065 (10) |
C20 | 0.0304 (13) | 0.0451 (15) | 0.0294 (11) | 0.0028 (11) | 0.0009 (10) | −0.0088 (10) |
C21 | 0.0244 (12) | 0.0440 (15) | 0.0344 (11) | 0.0066 (10) | 0.0006 (10) | −0.0041 (10) |
C22 | 0.0299 (13) | 0.0459 (15) | 0.0262 (10) | 0.0053 (10) | −0.0001 (9) | −0.0037 (10) |
C23 | 0.0244 (12) | 0.0272 (12) | 0.0320 (11) | −0.0006 (9) | 0.0045 (9) | −0.0031 (9) |
C24 | 0.0237 (12) | 0.0412 (14) | 0.0344 (11) | 0.0042 (10) | 0.0009 (9) | 0.0016 (10) |
C25 | 0.0295 (13) | 0.0389 (14) | 0.0272 (10) | 0.0010 (10) | 0.0011 (9) | 0.0018 (9) |
C26 | 0.0317 (13) | 0.0341 (13) | 0.0297 (11) | −0.0002 (10) | 0.0025 (10) | −0.0055 (9) |
C27 | 0.0252 (12) | 0.0378 (14) | 0.0353 (11) | −0.0008 (10) | 0.0014 (10) | −0.0039 (10) |
C28 | 0.0259 (12) | 0.0283 (12) | 0.0305 (10) | 0.0025 (9) | 0.0029 (9) | 0.0017 (9) |
C29 | 0.0307 (13) | 0.0383 (14) | 0.0304 (11) | −0.0003 (10) | 0.0018 (10) | −0.0059 (9) |
C30 | 0.0242 (12) | 0.0380 (14) | 0.0376 (12) | −0.0017 (10) | 0.0026 (10) | −0.0026 (10) |
C31 | 0.0275 (13) | 0.0397 (15) | 0.0407 (12) | 0.0034 (10) | 0.0038 (10) | 0.0051 (10) |
C32 | 0.0317 (13) | 0.0428 (14) | 0.0277 (10) | 0.0003 (10) | 0.0021 (10) | 0.0022 (10) |
C33 | 0.0285 (12) | 0.0319 (13) | 0.0314 (11) | −0.0034 (10) | 0.0028 (10) | −0.0001 (9) |
C34 | 0.0244 (12) | 0.0542 (16) | 0.0343 (11) | 0.0009 (11) | 0.0014 (10) | 0.0038 (11) |
C35 | 0.0320 (13) | 0.0523 (16) | 0.0294 (11) | −0.0050 (11) | 0.0002 (10) | 0.0009 (10) |
C36 | 0.0456 (15) | 0.0323 (13) | 0.0284 (11) | 0.0049 (11) | 0.0039 (10) | −0.0011 (9) |
C37 | 0.0310 (13) | 0.0349 (14) | 0.0351 (11) | −0.0006 (10) | −0.0007 (10) | −0.0002 (10) |
C38 | 0.0281 (12) | 0.0311 (13) | 0.0303 (10) | 0.0014 (9) | 0.0052 (9) | 0.0044 (9) |
C39 | 0.0320 (13) | 0.0477 (15) | 0.0284 (10) | −0.0024 (11) | 0.0017 (10) | 0.0005 (10) |
C40 | 0.0277 (13) | 0.0484 (16) | 0.0407 (12) | −0.0009 (11) | 0.0074 (10) | 0.0051 (11) |
C41 | 0.0197 (10) | 0.0237 (12) | 0.0223 (9) | 0.0026 (9) | 0.0054 (8) | −0.0001 (8) |
C42 | 0.0207 (11) | 0.0239 (12) | 0.0244 (9) | 0.0008 (9) | 0.0065 (8) | −0.0013 (9) |
C43 | 0.0208 (11) | 0.0250 (12) | 0.0227 (9) | −0.0004 (9) | 0.0065 (8) | 0.0005 (9) |
C44 | 0.0192 (11) | 0.0250 (12) | 0.0225 (9) | 0.0008 (9) | 0.0055 (8) | −0.0015 (9) |
C45 | 0.0230 (11) | 0.0258 (12) | 0.0244 (10) | −0.0014 (9) | 0.0028 (8) | 0.0016 (9) |
C46 | 0.0223 (11) | 0.0262 (12) | 0.0257 (10) | −0.0018 (9) | 0.0038 (8) | 0.0019 (9) |
N1 | 0.0278 (10) | 0.0383 (12) | 0.0314 (9) | 0.0012 (8) | 0.0029 (8) | 0.0001 (8) |
N2 | 0.0336 (11) | 0.0371 (12) | 0.0350 (10) | 0.0029 (9) | 0.0088 (9) | 0.0036 (8) |
N3 | 0.0280 (10) | 0.0297 (11) | 0.0306 (9) | 0.0018 (8) | 0.0052 (8) | −0.0006 (8) |
N4 | 0.0281 (10) | 0.0269 (10) | 0.0289 (9) | 0.0041 (8) | 0.0041 (8) | −0.0017 (7) |
N5 | 0.0265 (10) | 0.0299 (11) | 0.0282 (9) | 0.0000 (8) | 0.0030 (8) | −0.0004 (7) |
N6 | 0.0288 (10) | 0.0268 (10) | 0.0313 (9) | 0.0022 (8) | 0.0061 (8) | −0.0006 (8) |
N7 | 0.0300 (11) | 0.0367 (11) | 0.0305 (9) | −0.0010 (8) | 0.0041 (8) | −0.0012 (8) |
N8 | 0.0384 (12) | 0.0370 (12) | 0.0355 (10) | 0.0026 (9) | 0.0099 (9) | 0.0022 (9) |
O1 | 0.0267 (8) | 0.0220 (8) | 0.0280 (7) | 0.0005 (6) | −0.0027 (6) | 0.0024 (6) |
O2 | 0.0241 (8) | 0.0200 (8) | 0.0335 (7) | −0.0010 (6) | −0.0033 (6) | 0.0009 (6) |
O3 | 0.0258 (8) | 0.0252 (8) | 0.0277 (7) | −0.0038 (6) | −0.0015 (6) | 0.0003 (6) |
O4 | 0.0266 (8) | 0.0237 (8) | 0.0320 (7) | −0.0001 (6) | −0.0023 (6) | 0.0049 (6) |
O5 | 0.0249 (8) | 0.0220 (8) | 0.0318 (7) | 0.0010 (6) | −0.0019 (6) | 0.0038 (6) |
O6 | 0.0248 (8) | 0.0239 (8) | 0.0276 (7) | −0.0030 (6) | −0.0008 (6) | −0.0002 (6) |
O7 | 0.0249 (8) | 0.0225 (8) | 0.0291 (7) | −0.0019 (6) | −0.0018 (6) | −0.0002 (6) |
O8 | 0.0261 (8) | 0.0235 (8) | 0.0276 (7) | 0.0014 (6) | −0.0028 (6) | 0.0014 (6) |
O9 | 0.0296 (8) | 0.0253 (8) | 0.0331 (7) | 0.0053 (6) | −0.0056 (6) | −0.0015 (6) |
O10 | 0.0315 (8) | 0.0244 (8) | 0.0305 (7) | 0.0013 (6) | −0.0036 (6) | −0.0033 (6) |
O11 | 0.0298 (8) | 0.0236 (8) | 0.0295 (7) | 0.0016 (6) | −0.0029 (6) | −0.0023 (6) |
O12 | 0.0282 (8) | 0.0264 (8) | 0.0345 (7) | 0.0043 (7) | −0.0052 (6) | −0.0016 (6) |
Zn1—O2 | 2.0630 (13) | C21—C22 | 1.379 (2) |
Zn1—O1 | 2.0668 (13) | C21—H21 | 0.9300 |
Zn1—O12i | 2.0749 (14) | C22—C23 | 1.389 (3) |
Zn1—O11i | 2.0806 (14) | C22—H22 | 0.9300 |
Zn1—N6ii | 2.1601 (15) | C23—C24 | 1.389 (3) |
Zn1—N1 | 2.3370 (16) | C23—C28 | 1.489 (2) |
Zn2—O3 | 2.0733 (13) | C24—C25 | 1.378 (3) |
Zn2—O6 | 2.0782 (13) | C24—H24 | 0.9300 |
Zn2—O4 | 2.0866 (14) | C25—N5 | 1.332 (3) |
Zn2—O5 | 2.0880 (14) | C25—H25 | 0.9300 |
Zn2—N3 | 2.2152 (15) | C26—N6 | 1.335 (3) |
Zn2—N5 | 2.2419 (15) | C26—C27 | 1.380 (3) |
Zn3—O7 | 2.0601 (13) | C26—H26 | 0.9300 |
Zn3—O8 | 2.0800 (13) | C27—C28 | 1.388 (3) |
Zn3—O10 | 2.0886 (14) | C27—H27 | 0.9300 |
Zn3—O9 | 2.0910 (14) | C28—C29 | 1.395 (3) |
Zn3—N4iii | 2.1497 (15) | C29—C30 | 1.379 (3) |
Zn3—N7 | 2.2669 (16) | C29—H29 | 0.9300 |
C1—N1 | 1.332 (3) | C30—N6 | 1.344 (3) |
C1—C2 | 1.373 (3) | C30—H30 | 0.9300 |
C1—H1 | 0.9300 | C31—N7 | 1.335 (3) |
C2—C3 | 1.392 (3) | C31—C32 | 1.376 (3) |
C2—H2 | 0.9300 | C31—H31 | 0.9300 |
C3—C4 | 1.389 (3) | C32—C33 | 1.393 (3) |
C3—C8 | 1.489 (3) | C32—H32 | 0.9300 |
C4—C5 | 1.374 (3) | C33—C34 | 1.392 (3) |
C4—H4 | 0.9300 | C33—C38 | 1.485 (2) |
C5—N1 | 1.331 (3) | C34—C35 | 1.366 (3) |
C5—H5 | 0.9300 | C34—H34 | 0.9300 |
C6—N2 | 1.328 (3) | C35—N7 | 1.341 (3) |
C6—C7 | 1.380 (3) | C35—H35 | 0.9300 |
C6—H6 | 0.9300 | C36—N8 | 1.330 (3) |
C7—C8 | 1.386 (3) | C36—C37 | 1.383 (3) |
C7—H7 | 0.9300 | C36—H36 | 0.9300 |
C8—C9 | 1.396 (3) | C37—C38 | 1.386 (3) |
C9—C10 | 1.375 (3) | C37—H37 | 0.9300 |
C9—H9 | 0.9300 | C38—C39 | 1.390 (3) |
C10—N2 | 1.334 (3) | C39—C40 | 1.380 (3) |
C10—H10 | 0.9300 | C39—H39 | 0.9300 |
C11—N3 | 1.334 (3) | C40—N8 | 1.325 (3) |
C11—C12 | 1.378 (3) | C40—H40 | 0.9300 |
C11—H11 | 0.9300 | C41—O3 | 1.255 (2) |
C12—C13 | 1.385 (3) | C41—O1 | 1.256 (2) |
C12—H12 | 0.9300 | C41—C42 | 1.561 (3) |
C13—C14 | 1.387 (3) | C42—O4 | 1.250 (2) |
C13—C18 | 1.485 (3) | C42—O2 | 1.256 (2) |
C14—C15 | 1.378 (3) | C43—O5 | 1.254 (2) |
C14—H14 | 0.9300 | C43—O7 | 1.255 (2) |
C15—N3 | 1.335 (2) | C43—C44 | 1.565 (3) |
C15—H15 | 0.9300 | C44—O6 | 1.254 (2) |
C16—N4 | 1.340 (2) | C44—O8 | 1.255 (2) |
C16—C17 | 1.376 (3) | C45—O9 | 1.250 (2) |
C16—H16 | 0.9300 | C45—O11 | 1.253 (2) |
C17—C18 | 1.392 (3) | C45—C46 | 1.565 (3) |
C17—H17 | 0.9300 | C46—O10 | 1.251 (2) |
C18—C19 | 1.386 (3) | C46—O12 | 1.252 (2) |
C19—C20 | 1.381 (3) | N4—Zn3iv | 2.1497 (15) |
C19—H19 | 0.9300 | N6—Zn1v | 2.1601 (15) |
C20—N4 | 1.333 (3) | O11—Zn1vi | 2.0806 (14) |
C20—H20 | 0.9300 | O12—Zn1vi | 2.0749 (14) |
C21—N5 | 1.335 (2) | ||
O2—Zn1—O1 | 82.00 (5) | C21—C22—C23 | 119.30 (19) |
O2—Zn1—O12i | 96.63 (5) | C21—C22—H22 | 120.4 |
O1—Zn1—O12i | 169.73 (5) | C23—C22—H22 | 120.4 |
O2—Zn1—O11i | 170.69 (5) | C22—C23—C24 | 117.10 (17) |
O1—Zn1—O11i | 98.11 (5) | C22—C23—C28 | 121.62 (18) |
O12i—Zn1—O11i | 81.59 (5) | C24—C23—C28 | 121.28 (19) |
O2—Zn1—N6ii | 98.48 (6) | C25—C24—C23 | 119.20 (19) |
O1—Zn1—N6ii | 99.29 (6) | C25—C24—H24 | 120.4 |
O12i—Zn1—N6ii | 90.98 (6) | C23—C24—H24 | 120.4 |
O11i—Zn1—N6ii | 90.70 (6) | N5—C25—C24 | 124.12 (19) |
O2—Zn1—N1 | 86.24 (6) | N5—C25—H25 | 117.9 |
O1—Zn1—N1 | 86.05 (6) | C24—C25—H25 | 117.9 |
O12i—Zn1—N1 | 83.70 (6) | N6—C26—C27 | 123.73 (19) |
O11i—Zn1—N1 | 84.48 (6) | N6—C26—H26 | 118.1 |
N6ii—Zn1—N1 | 173.28 (6) | C27—C26—H26 | 118.1 |
O3—Zn2—O6 | 178.52 (5) | C26—C27—C28 | 119.5 (2) |
O3—Zn2—O4 | 81.87 (5) | C26—C27—H27 | 120.3 |
O6—Zn2—O4 | 98.51 (5) | C28—C27—H27 | 120.3 |
O3—Zn2—O5 | 97.62 (5) | C27—C28—C29 | 117.25 (17) |
O6—Zn2—O5 | 81.97 (5) | C27—C28—C23 | 121.85 (18) |
O4—Zn2—O5 | 178.58 (5) | C29—C28—C23 | 120.90 (18) |
O3—Zn2—N3 | 89.68 (6) | C30—C29—C28 | 119.29 (19) |
O6—Zn2—N3 | 91.76 (6) | C30—C29—H29 | 120.4 |
O4—Zn2—N3 | 89.02 (6) | C28—C29—H29 | 120.4 |
O5—Zn2—N3 | 92.30 (6) | N6—C30—C29 | 123.6 (2) |
O3—Zn2—N5 | 91.65 (5) | N6—C30—H30 | 118.2 |
O6—Zn2—N5 | 86.90 (5) | C29—C30—H30 | 118.2 |
O4—Zn2—N5 | 92.02 (6) | N7—C31—C32 | 123.8 (2) |
O5—Zn2—N5 | 86.67 (6) | N7—C31—H31 | 118.1 |
N3—Zn2—N5 | 178.42 (6) | C32—C31—H31 | 118.1 |
O7—Zn3—O8 | 81.75 (5) | C31—C32—C33 | 119.19 (19) |
O7—Zn3—O10 | 174.68 (5) | C31—C32—H32 | 120.4 |
O8—Zn3—O10 | 98.57 (5) | C33—C32—H32 | 120.4 |
O7—Zn3—O9 | 97.64 (5) | C34—C33—C32 | 117.10 (18) |
O8—Zn3—O9 | 171.61 (5) | C34—C33—C38 | 121.42 (19) |
O10—Zn3—O9 | 81.26 (5) | C32—C33—C38 | 121.48 (18) |
O7—Zn3—N4iii | 95.43 (6) | C35—C34—C33 | 119.5 (2) |
O8—Zn3—N4iii | 97.22 (6) | C35—C34—H34 | 120.2 |
O10—Zn3—N4iii | 89.80 (6) | C33—C34—H34 | 120.2 |
O9—Zn3—N4iii | 91.17 (6) | N7—C35—C34 | 123.81 (19) |
O7—Zn3—N7 | 89.82 (6) | N7—C35—H35 | 118.1 |
O8—Zn3—N7 | 87.61 (6) | C34—C35—H35 | 118.1 |
O10—Zn3—N7 | 84.89 (6) | N8—C36—C37 | 124.0 (2) |
O9—Zn3—N7 | 84.01 (6) | N8—C36—H36 | 118.0 |
N4iii—Zn3—N7 | 173.31 (6) | C37—C36—H36 | 118.0 |
N1—C1—C2 | 124.09 (19) | C36—C37—C38 | 118.7 (2) |
N1—C1—H1 | 118.0 | C36—C37—H37 | 120.7 |
C2—C1—H1 | 118.0 | C38—C37—H37 | 120.7 |
C1—C2—C3 | 119.2 (2) | C37—C38—C39 | 117.81 (18) |
C1—C2—H2 | 120.4 | C37—C38—C33 | 121.99 (19) |
C3—C2—H2 | 120.4 | C39—C38—C33 | 120.19 (18) |
C4—C3—C2 | 117.02 (18) | C40—C39—C38 | 118.7 (2) |
C4—C3—C8 | 121.79 (18) | C40—C39—H39 | 120.7 |
C2—C3—C8 | 121.19 (19) | C38—C39—H39 | 120.7 |
C5—C4—C3 | 119.3 (2) | N8—C40—C39 | 124.2 (2) |
C5—C4—H4 | 120.4 | N8—C40—H40 | 117.9 |
C3—C4—H4 | 120.4 | C39—C40—H40 | 117.9 |
N1—C5—C4 | 124.1 (2) | O3—C41—O1 | 124.80 (19) |
N1—C5—H5 | 118.0 | O3—C41—C42 | 117.75 (17) |
C4—C5—H5 | 118.0 | O1—C41—C42 | 117.44 (17) |
N2—C6—C7 | 124.1 (2) | O4—C42—O2 | 125.43 (19) |
N2—C6—H6 | 117.9 | O4—C42—C41 | 117.63 (17) |
C7—C6—H6 | 117.9 | O2—C42—C41 | 116.93 (17) |
C6—C7—C8 | 118.9 (2) | O5—C43—O7 | 124.97 (19) |
C6—C7—H7 | 120.5 | O5—C43—C44 | 117.81 (18) |
C8—C7—H7 | 120.5 | O7—C43—C44 | 117.21 (18) |
C7—C8—C9 | 117.50 (18) | O6—C44—O8 | 125.37 (19) |
C7—C8—C3 | 121.56 (19) | O6—C44—C43 | 117.63 (17) |
C9—C8—C3 | 120.94 (18) | O8—C44—C43 | 117.00 (17) |
C10—C9—C8 | 118.7 (2) | O9—C45—O11 | 125.12 (19) |
C10—C9—H9 | 120.6 | O9—C45—C46 | 117.31 (17) |
C8—C9—H9 | 120.6 | O11—C45—C46 | 117.57 (18) |
N2—C10—C9 | 124.3 (2) | O10—C46—O12 | 125.19 (19) |
N2—C10—H10 | 117.9 | O10—C46—C45 | 117.76 (18) |
C9—C10—H10 | 117.9 | O12—C46—C45 | 117.04 (17) |
N3—C11—C12 | 123.64 (19) | C5—N1—C1 | 116.36 (17) |
N3—C11—H11 | 118.2 | C5—N1—Zn1 | 122.40 (15) |
C12—C11—H11 | 118.2 | C1—N1—Zn1 | 120.91 (13) |
C11—C12—C13 | 119.4 (2) | C6—N2—C10 | 116.43 (17) |
C11—C12—H12 | 120.3 | C11—N3—C15 | 116.47 (17) |
C13—C12—H12 | 120.3 | C11—N3—Zn2 | 122.55 (13) |
C12—C13—C14 | 117.37 (18) | C15—N3—Zn2 | 120.15 (14) |
C12—C13—C18 | 121.92 (19) | C20—N4—C16 | 116.75 (16) |
C14—C13—C18 | 120.71 (18) | C20—N4—Zn3iv | 120.91 (13) |
C15—C14—C13 | 119.01 (19) | C16—N4—Zn3iv | 122.08 (14) |
C15—C14—H14 | 120.5 | C25—N5—C21 | 116.27 (16) |
C13—C14—H14 | 120.5 | C25—N5—Zn2 | 122.18 (13) |
N3—C15—C14 | 124.0 (2) | C21—N5—Zn2 | 120.75 (14) |
N3—C15—H15 | 118.0 | C26—N6—C30 | 116.68 (16) |
C14—C15—H15 | 118.0 | C26—N6—Zn1v | 120.75 (13) |
N4—C16—C17 | 123.74 (19) | C30—N6—Zn1v | 122.56 (14) |
N4—C16—H16 | 118.1 | C31—N7—C35 | 116.53 (17) |
C17—C16—H16 | 118.1 | C31—N7—Zn3 | 121.17 (14) |
C16—C17—C18 | 119.03 (19) | C35—N7—Zn3 | 120.47 (13) |
C16—C17—H17 | 120.5 | C40—N8—C36 | 116.69 (17) |
C18—C17—H17 | 120.5 | C41—O1—Zn1 | 110.60 (12) |
C19—C18—C17 | 117.55 (18) | C42—O2—Zn1 | 111.23 (13) |
C19—C18—C13 | 121.15 (19) | C41—O3—Zn2 | 111.22 (12) |
C17—C18—C13 | 121.30 (18) | C42—O4—Zn2 | 111.04 (13) |
C20—C19—C18 | 119.3 (2) | C43—O5—Zn2 | 109.81 (12) |
C20—C19—H19 | 120.4 | C44—O6—Zn2 | 110.48 (12) |
C18—C19—H19 | 120.4 | C43—O7—Zn3 | 111.57 (13) |
N4—C20—C19 | 123.62 (19) | C44—O8—Zn3 | 110.84 (12) |
N4—C20—H20 | 118.2 | C45—O9—Zn3 | 111.79 (13) |
C19—C20—H20 | 118.2 | C46—O10—Zn3 | 111.46 (13) |
N5—C21—C22 | 123.9 (2) | C45—O11—Zn1vi | 111.09 (13) |
N5—C21—H21 | 118.0 | C46—O12—Zn1vi | 111.31 (13) |
C22—C21—H21 | 118.0 | ||
N1—C1—C2—C3 | 0.2 (4) | O4—Zn2—N3—C15 | 71.21 (16) |
C1—C2—C3—C4 | 0.1 (3) | O5—Zn2—N3—C15 | −109.31 (16) |
C1—C2—C3—C8 | −179.2 (2) | C19—C20—N4—C16 | −1.4 (3) |
C2—C3—C4—C5 | 0.2 (3) | C19—C20—N4—Zn3iv | 172.85 (17) |
C8—C3—C4—C5 | 179.5 (2) | C17—C16—N4—C20 | 2.5 (3) |
C3—C4—C5—N1 | −0.8 (4) | C17—C16—N4—Zn3iv | −171.72 (16) |
N2—C6—C7—C8 | −0.5 (3) | C24—C25—N5—C21 | −3.2 (3) |
C6—C7—C8—C9 | 0.0 (3) | C24—C25—N5—Zn2 | 166.59 (16) |
C6—C7—C8—C3 | −179.89 (19) | C22—C21—N5—C25 | 2.4 (3) |
C4—C3—C8—C7 | −27.1 (3) | C22—C21—N5—Zn2 | −167.55 (17) |
C2—C3—C8—C7 | 152.2 (2) | O3—Zn2—N5—C25 | −137.77 (16) |
C4—C3—C8—C9 | 153.0 (2) | O6—Zn2—N5—C25 | 42.57 (16) |
C2—C3—C8—C9 | −27.7 (3) | O4—Zn2—N5—C25 | −55.85 (16) |
C7—C8—C9—C10 | 0.5 (3) | O5—Zn2—N5—C25 | 124.69 (16) |
C3—C8—C9—C10 | −179.63 (19) | O3—Zn2—N5—C21 | 31.62 (16) |
C8—C9—C10—N2 | −0.6 (3) | O6—Zn2—N5—C21 | −148.04 (16) |
N3—C11—C12—C13 | 0.0 (3) | O4—Zn2—N5—C21 | 113.54 (16) |
C11—C12—C13—C14 | −2.9 (3) | O5—Zn2—N5—C21 | −65.92 (16) |
C11—C12—C13—C18 | 177.3 (2) | C27—C26—N6—C30 | 0.4 (3) |
C12—C13—C14—C15 | 3.4 (3) | C27—C26—N6—Zn1v | 179.26 (16) |
C18—C13—C14—C15 | −176.8 (2) | C29—C30—N6—C26 | −1.4 (3) |
C13—C14—C15—N3 | −1.1 (4) | C29—C30—N6—Zn1v | 179.69 (16) |
N4—C16—C17—C18 | −1.3 (3) | C32—C31—N7—C35 | −2.1 (3) |
C16—C17—C18—C19 | −1.0 (3) | C32—C31—N7—Zn3 | 162.52 (17) |
C16—C17—C18—C13 | 179.26 (19) | C34—C35—N7—C31 | 2.4 (3) |
C12—C13—C18—C19 | 142.9 (2) | C34—C35—N7—Zn3 | −162.39 (18) |
C14—C13—C18—C19 | −36.8 (3) | O7—Zn3—N7—C31 | 43.48 (17) |
C12—C13—C18—C17 | −37.4 (3) | O8—Zn3—N7—C31 | 125.24 (17) |
C14—C13—C18—C17 | 142.9 (2) | O10—Zn3—N7—C31 | −135.94 (17) |
C17—C18—C19—C20 | 2.0 (3) | O9—Zn3—N7—C31 | −54.22 (16) |
C13—C18—C19—C20 | −178.3 (2) | O7—Zn3—N7—C35 | −152.46 (17) |
C18—C19—C20—N4 | −0.8 (3) | O8—Zn3—N7—C35 | −70.71 (17) |
N5—C21—C22—C23 | 0.5 (3) | O10—Zn3—N7—C35 | 28.12 (17) |
C21—C22—C23—C24 | −2.7 (3) | O9—Zn3—N7—C35 | 109.84 (17) |
C21—C22—C23—C28 | 177.1 (2) | C39—C40—N8—C36 | 0.2 (3) |
C22—C23—C24—C25 | 2.0 (3) | C37—C36—N8—C40 | −0.7 (3) |
C28—C23—C24—C25 | −177.85 (19) | O3—C41—O1—Zn1 | −168.46 (13) |
C23—C24—C25—N5 | 1.1 (3) | C42—C41—O1—Zn1 | 11.04 (17) |
N6—C26—C27—C28 | 1.1 (3) | O2—Zn1—O1—C41 | −11.84 (11) |
C26—C27—C28—C29 | −1.5 (3) | O12i—Zn1—O1—C41 | 71.2 (3) |
C26—C27—C28—C23 | 178.41 (19) | O11i—Zn1—O1—C41 | 158.75 (11) |
C22—C23—C28—C27 | 33.0 (3) | N6ii—Zn1—O1—C41 | −109.19 (12) |
C24—C23—C28—C27 | −147.2 (2) | N1—Zn1—O1—C41 | 74.91 (12) |
C22—C23—C28—C29 | −147.2 (2) | O4—C42—O2—Zn1 | 170.32 (14) |
C24—C23—C28—C29 | 32.7 (3) | C41—C42—O2—Zn1 | −8.10 (18) |
C27—C28—C29—C30 | 0.5 (3) | O1—Zn1—O2—C42 | 10.74 (11) |
C23—C28—C29—C30 | −179.4 (2) | O12i—Zn1—O2—C42 | −158.99 (11) |
C28—C29—C30—N6 | 1.0 (3) | N6ii—Zn1—O2—C42 | 109.01 (12) |
N7—C31—C32—C33 | 0.1 (3) | N1—Zn1—O2—C42 | −75.79 (12) |
C31—C32—C33—C34 | 1.8 (3) | O1—C41—O3—Zn2 | 175.26 (13) |
C31—C32—C33—C38 | −178.37 (19) | C42—C41—O3—Zn2 | −4.24 (18) |
C32—C33—C34—C35 | −1.6 (3) | O4—Zn2—O3—C41 | 5.58 (11) |
C38—C33—C34—C35 | 178.6 (2) | O5—Zn2—O3—C41 | −175.76 (11) |
C33—C34—C35—N7 | −0.5 (4) | N3—Zn2—O3—C41 | −83.48 (12) |
N8—C36—C37—C38 | 0.1 (3) | N5—Zn2—O3—C41 | 97.38 (12) |
C36—C37—C38—C39 | 0.9 (3) | O2—C42—O4—Zn2 | −172.59 (14) |
C36—C37—C38—C33 | −179.45 (19) | C41—C42—O4—Zn2 | 5.81 (18) |
C34—C33—C38—C37 | −148.9 (2) | O3—Zn2—O4—C42 | −6.22 (11) |
C32—C33—C38—C37 | 31.3 (3) | O6—Zn2—O4—C42 | 175.23 (11) |
C34—C33—C38—C39 | 30.7 (3) | N3—Zn2—O4—C42 | 83.60 (12) |
C32—C33—C38—C39 | −149.1 (2) | N5—Zn2—O4—C42 | −97.60 (12) |
C37—C38—C39—C40 | −1.4 (3) | O7—C43—O5—Zn2 | 166.57 (14) |
C33—C38—C39—C40 | 179.0 (2) | C44—C43—O5—Zn2 | −12.78 (18) |
C38—C39—C40—N8 | 0.9 (3) | O3—Zn2—O5—C43 | −165.12 (11) |
O3—C41—C42—O4 | −1.2 (2) | O6—Zn2—O5—C43 | 13.44 (11) |
O1—C41—C42—O4 | 179.30 (15) | N3—Zn2—O5—C43 | 104.89 (12) |
O3—C41—C42—O2 | 177.38 (15) | N5—Zn2—O5—C43 | −73.90 (12) |
O1—C41—C42—O2 | −2.2 (2) | O8—C44—O6—Zn2 | −170.12 (14) |
O5—C43—C44—O6 | 3.0 (2) | C43—C44—O6—Zn2 | 8.79 (18) |
O7—C43—C44—O6 | −176.43 (15) | O4—Zn2—O6—C44 | 166.74 (11) |
O5—C43—C44—O8 | −178.02 (15) | O5—Zn2—O6—C44 | −11.91 (11) |
O7—C43—C44—O8 | 2.6 (2) | N3—Zn2—O6—C44 | −103.98 (12) |
O9—C45—C46—O10 | −3.0 (2) | N5—Zn2—O6—C44 | 75.17 (12) |
O11—C45—C46—O10 | 177.17 (16) | O5—C43—O7—Zn3 | −172.01 (14) |
O9—C45—C46—O12 | 176.03 (16) | C44—C43—O7—Zn3 | 7.35 (18) |
O11—C45—C46—O12 | −3.8 (2) | O8—Zn3—O7—C43 | −10.01 (11) |
C4—C5—N1—C1 | 1.0 (4) | O9—Zn3—O7—C43 | 161.54 (11) |
C4—C5—N1—Zn1 | −172.40 (18) | N4iii—Zn3—O7—C43 | −106.55 (12) |
C2—C1—N1—C5 | −0.7 (3) | N7—Zn3—O7—C43 | 77.60 (12) |
C2—C1—N1—Zn1 | 172.84 (17) | O6—C44—O8—Zn3 | 168.12 (14) |
O2—Zn1—N1—C5 | −46.49 (18) | C43—C44—O8—Zn3 | −10.79 (18) |
O1—Zn1—N1—C5 | −128.72 (18) | O7—Zn3—O8—C44 | 11.39 (11) |
O12i—Zn1—N1—C5 | 50.61 (18) | O10—Zn3—O8—C44 | −163.25 (11) |
O11i—Zn1—N1—C5 | 132.73 (18) | N4iii—Zn3—O8—C44 | 105.86 (12) |
O2—Zn1—N1—C1 | 140.38 (17) | N7—Zn3—O8—C44 | −78.78 (12) |
O1—Zn1—N1—C1 | 58.15 (17) | O11—C45—O9—Zn3 | 177.59 (14) |
O12i—Zn1—N1—C1 | −122.52 (17) | C46—C45—O9—Zn3 | −2.18 (19) |
O11i—Zn1—N1—C1 | −40.40 (17) | O7—Zn3—O9—C45 | −170.57 (12) |
C7—C6—N2—C10 | 0.4 (3) | O10—Zn3—O9—C45 | 4.18 (12) |
C9—C10—N2—C6 | 0.2 (3) | N4iii—Zn3—O9—C45 | 93.79 (13) |
C12—C11—N3—C15 | 2.4 (3) | N7—Zn3—O9—C45 | −81.55 (13) |
C12—C11—N3—Zn2 | −167.20 (16) | O12—C46—O10—Zn3 | −172.59 (15) |
C14—C15—N3—C11 | −1.8 (3) | C45—C46—O10—Zn3 | 6.39 (19) |
C14—C15—N3—Zn2 | 168.05 (17) | O8—Zn3—O10—C46 | 165.69 (12) |
O3—Zn2—N3—C11 | −37.72 (17) | N4iii—Zn3—O10—C46 | −97.04 (13) |
O6—Zn2—N3—C11 | 141.92 (17) | N7—Zn3—O10—C46 | 78.89 (13) |
O4—Zn2—N3—C11 | −119.59 (17) | O9—C45—O11—Zn1vi | 174.62 (15) |
O5—Zn2—N3—C11 | 59.90 (17) | C46—C45—O11—Zn1vi | −5.60 (19) |
O3—Zn2—N3—C15 | 153.08 (16) | O10—C46—O12—Zn1vi | −170.15 (15) |
O6—Zn2—N3—C15 | −27.28 (17) | C45—C46—O12—Zn1vi | 10.86 (19) |
Symmetry codes: (i) x, y−1, z; (ii) −x, y−1/2, −z+3/2; (iii) −x+1, y+1/2, −z+1/2; (iv) −x+1, y−1/2, −z+1/2; (v) −x, y+1/2, −z+3/2; (vi) x, y+1, z. |