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The title compound, [Zn(C44H24Cl4N4)]·C6H5NO2, crystallizes in several polymorphic forms. We report in this paper the third known polymorph of this compound, which can be obtained at temperatures below ca 195 K.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803014752/cf6268sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803014752/cf6268Isup2.hkl
Contains datablock I

CCDC reference: 221617

Key indicators

  • Single-crystal X-ray study
  • T = 110 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.053
  • wR factor = 0.134
  • Data-to-parameter ratio = 16.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO (Otwinowski, 1985); data reduction: DENZO; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and Mercury (Cambridge Crystallographic Data Centre, 2002); software used to prepare material for publication: SHELXL97.

(I) top
Crystal data top
[Zn(C44H24Cl4N4)]·C6H5NO2Z = 2
Mr = 938.95F(000) = 956
Triclinic, P1Dx = 1.555 Mg m3
a = 8.9390 (4) ÅMo Kα radiation, λ = 0.71073 Å
b = 15.2220 (4) ÅCell parameters from 8956 reflections
c = 16.8100 (6) Åθ = 2.3–27.5°
α = 115.7470 (19)°µ = 0.93 mm1
β = 97.316 (2)°T = 110 K
γ = 96.671 (2)°Prism, red
V = 2005.47 (13) Å30.30 × 0.15 × 0.05 mm
Data collection top
Nonius KappaCCD
diffractometer
8956 independent reflections
Radiation source: fine-focus sealed tube5732 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.061
Detector resolution: 56 microns pixels mm-1θmax = 27.5°, θmin = 2.3°
φ and ω scansh = 1111
Absorption correction: multi-scan
(Blessing, 1995)
k = 1919
Tmin = 0.768, Tmax = 0.955l = 2121
19096 measured reflections
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)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.134H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0546P)2]
where P = (Fo2 + 2Fc2)/3
8956 reflections(Δ/σ)max < 0.001
559 parametersΔρmax = 0.40 e Å3
0 restraintsΔρmin = 0.65 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*/Ueq
Zn0.20672 (5)0.04660 (3)0.09395 (2)0.01917 (12)
Cl10.44985 (11)0.65953 (6)0.26214 (6)0.0299 (2)
Cl20.38054 (11)0.11211 (7)0.52512 (6)0.0319 (2)
Cl30.82465 (10)0.57873 (6)0.07415 (6)0.0272 (2)
Cl40.07050 (12)0.23179 (7)0.71707 (6)0.0352 (2)
C10.0961 (4)0.1755 (2)0.2964 (2)0.0197 (7)
C20.0123 (4)0.2720 (2)0.3616 (2)0.0200 (7)
H20.00130.29930.42520.024*
C30.0480 (4)0.3168 (2)0.3160 (2)0.0211 (8)
H30.10900.38160.34130.025*
C40.0022 (4)0.2474 (2)0.2212 (2)0.0182 (7)
C50.0455 (4)0.2632 (2)0.1498 (2)0.0184 (7)
C60.0051 (4)0.1975 (2)0.0576 (2)0.0178 (7)
C70.0474 (4)0.2075 (2)0.0159 (2)0.0205 (7)
H70.12630.25830.01070.025*
C80.0342 (4)0.1325 (2)0.0932 (2)0.0215 (7)
H80.02320.12030.15230.026*
C90.1422 (4)0.0737 (2)0.0697 (2)0.0181 (7)
C100.2575 (4)0.0071 (2)0.1307 (2)0.0177 (7)
C110.3520 (4)0.0689 (2)0.1064 (2)0.0180 (7)
C120.4789 (4)0.1478 (2)0.1661 (2)0.0218 (8)
H120.52100.16340.22660.026*
C130.5261 (4)0.1950 (2)0.1193 (2)0.0235 (8)
H130.60720.25100.14150.028*
C140.4327 (4)0.1460 (2)0.0302 (2)0.0189 (7)
C150.4403 (4)0.1762 (2)0.0369 (2)0.0185 (7)
C160.3656 (4)0.1206 (2)0.1270 (2)0.0184 (7)
C170.3709 (4)0.1511 (2)0.1974 (2)0.0225 (8)
H170.41690.21440.18980.027*
C180.2976 (4)0.0723 (2)0.2758 (2)0.0203 (7)
H180.28470.06950.33390.024*
C190.2428 (4)0.0068 (2)0.2550 (2)0.0184 (7)
C200.1644 (4)0.1025 (2)0.3178 (2)0.0190 (7)
N210.0890 (3)0.16187 (19)0.21078 (18)0.0189 (6)
N220.1180 (3)0.11312 (18)0.02313 (18)0.0182 (6)
N230.3309 (3)0.06616 (19)0.02234 (18)0.0191 (6)
N240.2813 (3)0.02470 (18)0.16353 (18)0.0182 (6)
C250.1509 (4)0.3600 (2)0.1758 (2)0.0180 (7)
C260.2955 (4)0.3869 (2)0.2310 (2)0.0210 (7)
H260.33210.34180.25030.025*
C270.3870 (4)0.4797 (2)0.2580 (2)0.0236 (8)
H270.48500.49820.29630.028*
C280.3339 (4)0.5440 (2)0.2288 (2)0.0216 (8)
C290.1911 (4)0.5195 (2)0.1743 (2)0.0231 (8)
H290.15480.56520.15560.028*
C300.1013 (4)0.4267 (2)0.1472 (2)0.0219 (8)
H300.00410.40840.10820.026*
C310.2826 (4)0.0313 (2)0.2278 (2)0.0186 (7)
C320.3199 (4)0.0376 (2)0.2572 (2)0.0246 (8)
H320.32540.10240.21380.030*
C330.3492 (4)0.0141 (2)0.3482 (2)0.0233 (8)
H330.37330.06230.36700.028*
C340.3425 (4)0.0807 (3)0.4107 (2)0.0238 (8)
C350.3054 (4)0.1513 (2)0.3846 (2)0.0256 (8)
H350.30020.21600.42840.031*
C360.2757 (4)0.1261 (2)0.2933 (2)0.0225 (8)
H360.25020.17440.27500.027*
C370.5365 (4)0.2757 (2)0.0099 (2)0.0184 (7)
C380.4895 (4)0.3622 (2)0.0454 (2)0.0218 (8)
H380.39640.35740.06620.026*
C390.5772 (4)0.4560 (2)0.0708 (2)0.0232 (8)
H390.54440.51470.10850.028*
C400.7125 (4)0.4615 (2)0.0400 (2)0.0202 (7)
C410.7626 (4)0.3772 (2)0.0147 (2)0.0221 (8)
H410.85540.38230.03570.027*
C420.6743 (4)0.2845 (2)0.0386 (2)0.0207 (7)
H420.70890.22610.07530.025*
C430.1478 (4)0.1298 (2)0.4162 (2)0.0196 (7)
C440.2406 (4)0.1902 (3)0.4684 (2)0.0260 (8)
H440.32000.20990.44030.031*
C450.2178 (4)0.2216 (3)0.5608 (2)0.0294 (9)
H450.27990.26340.59600.035*
C460.1037 (4)0.1911 (2)0.6008 (2)0.0242 (8)
C470.0130 (4)0.1296 (3)0.5504 (2)0.0257 (8)
H470.06370.10800.57820.031*
C480.0360 (4)0.1000 (2)0.4585 (2)0.0240 (8)
H480.02660.05810.42370.029*
C490.7346 (4)0.5717 (3)0.4446 (3)0.0310 (9)
H490.71460.61060.50270.037*
C500.7976 (5)0.6164 (3)0.3968 (3)0.0343 (10)
H500.81940.68680.42180.041*
C510.8291 (5)0.5589 (3)0.3128 (3)0.0358 (10)
H510.87390.58950.28050.043*
C520.7942 (4)0.4556 (3)0.2762 (3)0.0325 (9)
H520.81530.41590.21850.039*
C530.7300 (4)0.4103 (3)0.3220 (3)0.0280 (8)
H530.70570.33990.29670.034*
C540.7016 (4)0.4694 (3)0.4057 (2)0.0246 (8)
N550.6304 (4)0.4219 (2)0.4547 (2)0.0297 (7)
O560.6429 (4)0.4697 (2)0.53629 (18)0.0427 (7)
O570.5560 (3)0.33678 (19)0.4105 (2)0.0402 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn0.0223 (2)0.0179 (2)0.0142 (2)0.00343 (15)0.00059 (15)0.00716 (16)
Cl10.0338 (5)0.0192 (4)0.0295 (5)0.0063 (4)0.0096 (4)0.0065 (4)
Cl20.0360 (6)0.0425 (5)0.0157 (4)0.0037 (4)0.0024 (4)0.0135 (4)
Cl30.0273 (5)0.0202 (4)0.0281 (5)0.0065 (3)0.0017 (4)0.0093 (4)
Cl40.0500 (6)0.0337 (5)0.0140 (4)0.0046 (4)0.0013 (4)0.0082 (4)
C10.0210 (18)0.0220 (17)0.0147 (16)0.0007 (13)0.0012 (13)0.0086 (14)
C20.0226 (19)0.0172 (16)0.0162 (17)0.0015 (13)0.0001 (13)0.0063 (14)
C30.0257 (19)0.0169 (16)0.0169 (17)0.0017 (13)0.0010 (14)0.0070 (14)
C40.0177 (18)0.0150 (15)0.0174 (17)0.0002 (12)0.0003 (13)0.0048 (14)
C50.0180 (18)0.0205 (16)0.0173 (17)0.0013 (13)0.0031 (13)0.0099 (14)
C60.0189 (18)0.0164 (16)0.0174 (17)0.0006 (13)0.0016 (13)0.0087 (14)
C70.0231 (19)0.0200 (16)0.0212 (17)0.0018 (13)0.0063 (14)0.0119 (15)
C80.0248 (19)0.0248 (18)0.0190 (17)0.0059 (14)0.0076 (14)0.0125 (15)
C90.0229 (18)0.0165 (15)0.0154 (16)0.0045 (13)0.0034 (13)0.0077 (14)
C100.0199 (18)0.0174 (16)0.0151 (16)0.0031 (13)0.0018 (13)0.0074 (14)
C110.0232 (18)0.0179 (16)0.0103 (15)0.0007 (13)0.0002 (13)0.0057 (14)
C120.0243 (19)0.0223 (17)0.0147 (16)0.0012 (14)0.0011 (14)0.0075 (15)
C130.028 (2)0.0213 (17)0.0176 (17)0.0029 (14)0.0008 (14)0.0087 (15)
C140.0209 (18)0.0161 (16)0.0145 (16)0.0010 (13)0.0003 (13)0.0045 (14)
C150.0175 (17)0.0181 (16)0.0171 (16)0.0008 (13)0.0041 (13)0.0063 (14)
C160.0185 (18)0.0157 (15)0.0195 (17)0.0006 (13)0.0043 (13)0.0075 (14)
C170.0244 (19)0.0193 (17)0.0215 (18)0.0008 (14)0.0015 (14)0.0094 (15)
C180.0219 (19)0.0220 (17)0.0149 (16)0.0021 (13)0.0002 (13)0.0089 (14)
C190.0171 (17)0.0225 (17)0.0182 (17)0.0007 (13)0.0005 (13)0.0135 (15)
C200.0194 (18)0.0202 (16)0.0168 (17)0.0021 (13)0.0004 (13)0.0091 (14)
N210.0208 (15)0.0201 (14)0.0139 (14)0.0028 (11)0.0005 (11)0.0085 (12)
N220.0184 (15)0.0168 (13)0.0149 (14)0.0017 (11)0.0000 (11)0.0052 (12)
N230.0215 (16)0.0181 (13)0.0159 (14)0.0016 (11)0.0021 (11)0.0080 (12)
N240.0199 (15)0.0138 (13)0.0176 (14)0.0011 (11)0.0015 (11)0.0059 (12)
C250.0193 (18)0.0189 (16)0.0139 (16)0.0020 (13)0.0032 (13)0.0072 (14)
C260.0222 (19)0.0202 (17)0.0175 (17)0.0016 (13)0.0003 (14)0.0073 (15)
C270.0192 (18)0.0235 (17)0.0192 (17)0.0041 (14)0.0014 (14)0.0044 (15)
C280.026 (2)0.0155 (16)0.0184 (17)0.0043 (13)0.0061 (14)0.0049 (14)
C290.030 (2)0.0210 (17)0.0226 (18)0.0053 (14)0.0087 (15)0.0132 (15)
C300.0194 (18)0.0276 (18)0.0142 (16)0.0029 (14)0.0011 (13)0.0079 (15)
C310.0194 (18)0.0193 (16)0.0147 (16)0.0010 (13)0.0010 (13)0.0074 (14)
C320.033 (2)0.0190 (17)0.0167 (17)0.0046 (14)0.0028 (15)0.0047 (15)
C330.027 (2)0.0240 (18)0.0222 (18)0.0055 (14)0.0028 (15)0.0140 (16)
C340.0234 (19)0.0332 (19)0.0129 (16)0.0006 (15)0.0014 (14)0.0108 (16)
C350.035 (2)0.0206 (17)0.0180 (17)0.0030 (15)0.0058 (15)0.0068 (15)
C360.030 (2)0.0178 (16)0.0204 (17)0.0055 (14)0.0051 (15)0.0090 (15)
C370.0209 (18)0.0184 (16)0.0123 (16)0.0017 (13)0.0020 (13)0.0067 (14)
C380.0211 (18)0.0224 (17)0.0193 (17)0.0000 (14)0.0063 (14)0.0077 (15)
C390.0238 (19)0.0175 (16)0.0227 (18)0.0007 (13)0.0051 (15)0.0048 (15)
C400.0217 (19)0.0177 (16)0.0191 (17)0.0043 (13)0.0020 (14)0.0103 (14)
C410.0202 (18)0.0251 (17)0.0200 (17)0.0004 (14)0.0043 (14)0.0102 (15)
C420.0202 (18)0.0195 (16)0.0202 (17)0.0029 (13)0.0035 (14)0.0074 (15)
C430.0215 (18)0.0189 (16)0.0140 (16)0.0048 (13)0.0006 (13)0.0067 (14)
C440.0206 (19)0.036 (2)0.0225 (18)0.0068 (15)0.0041 (15)0.0140 (17)
C450.027 (2)0.035 (2)0.0224 (19)0.0065 (16)0.0079 (16)0.0097 (17)
C460.032 (2)0.0224 (18)0.0140 (17)0.0076 (15)0.0010 (15)0.0084 (15)
C470.029 (2)0.0273 (18)0.0205 (18)0.0015 (15)0.0000 (15)0.0134 (16)
C480.028 (2)0.0212 (17)0.0192 (18)0.0023 (14)0.0031 (15)0.0068 (15)
C490.030 (2)0.0272 (19)0.025 (2)0.0058 (16)0.0000 (16)0.0069 (17)
C500.035 (2)0.027 (2)0.030 (2)0.0060 (16)0.0024 (17)0.0094 (18)
C510.030 (2)0.043 (2)0.037 (2)0.0029 (17)0.0054 (18)0.024 (2)
C520.028 (2)0.037 (2)0.027 (2)0.0042 (17)0.0060 (16)0.0104 (18)
C530.023 (2)0.0285 (19)0.027 (2)0.0022 (15)0.0016 (15)0.0098 (17)
C540.0193 (19)0.0297 (19)0.0223 (18)0.0010 (14)0.0019 (14)0.0120 (16)
N550.0309 (18)0.0283 (17)0.0285 (18)0.0000 (13)0.0003 (14)0.0149 (15)
O560.0519 (19)0.0470 (17)0.0226 (15)0.0023 (14)0.0030 (13)0.0140 (14)
O570.0477 (18)0.0258 (14)0.0437 (18)0.0035 (12)0.0078 (14)0.0158 (13)
Geometric parameters (Å, º) top
Zn—N232.022 (3)C26—H260.950
Zn—N212.023 (3)C27—C281.375 (5)
Zn—N242.031 (3)C27—H270.950
Zn—N222.043 (3)C28—C291.380 (5)
Cl1—C281.747 (3)C29—C301.390 (5)
Cl2—C341.744 (4)C29—H290.950
Cl3—C401.752 (3)C30—H300.950
Cl4—C461.747 (3)C31—C321.394 (5)
C1—N211.372 (4)C31—C361.399 (4)
C1—C201.408 (5)C32—C331.393 (5)
C1—C21.435 (4)C32—H320.950
C2—C31.349 (5)C33—C341.381 (5)
C2—H20.950C33—H330.950
C3—C41.447 (4)C34—C351.382 (5)
C3—H30.950C35—C361.391 (5)
C4—N211.381 (4)C35—H350.950
C4—C51.413 (5)C36—H360.950
C5—C61.406 (4)C37—C421.392 (5)
C5—C251.504 (4)C37—C381.392 (4)
C6—N221.381 (4)C38—C391.400 (4)
C6—C71.436 (5)C38—H380.950
C7—C81.342 (5)C39—C401.383 (5)
C7—H70.950C39—H390.950
C8—C91.446 (5)C40—C411.380 (5)
C8—H80.950C41—C421.394 (5)
C9—N221.383 (4)C41—H410.950
C9—C101.402 (4)C42—H420.950
C10—C111.415 (5)C43—C481.384 (5)
C10—C311.489 (4)C43—C441.401 (5)
C11—N231.384 (4)C44—C451.390 (5)
C11—C121.443 (4)C44—H440.950
C12—C131.348 (5)C45—C461.383 (5)
C12—H120.950C45—H450.950
C13—C141.437 (4)C46—C471.384 (5)
C13—H130.950C47—C481.387 (5)
C14—N231.376 (4)C47—H470.950
C14—C151.397 (5)C48—H480.950
C15—C161.397 (4)C49—C541.378 (5)
C15—C371.497 (4)C49—C501.389 (6)
C16—N241.387 (4)C49—H490.950
C16—C171.451 (5)C50—C511.388 (6)
C17—C181.353 (5)C50—H500.950
C17—H170.950C51—C521.395 (5)
C18—C191.444 (5)C51—H510.950
C18—H180.950C52—C531.372 (6)
C19—N241.378 (4)C52—H520.950
C19—C201.402 (4)C53—C541.378 (5)
C20—C431.503 (5)C53—H530.950
C25—C301.391 (5)C54—N551.466 (5)
C25—C261.393 (5)N55—O561.224 (4)
C26—C271.396 (4)N55—O571.229 (4)
N23—Zn—N21177.96 (11)C26—C27—H27120.3
N23—Zn—N2490.09 (11)C27—C28—C29121.5 (3)
N21—Zn—N2489.95 (11)C27—C28—Cl1119.1 (3)
N23—Zn—N2290.01 (11)C29—C28—Cl1119.4 (3)
N21—Zn—N2290.10 (11)C28—C29—C30118.7 (3)
N24—Zn—N22175.73 (11)C28—C29—H29120.7
N21—C1—C20125.0 (3)C30—C29—H29120.7
N21—C1—C2110.3 (3)C25—C30—C29121.4 (3)
C20—C1—C2124.5 (3)C25—C30—H30119.3
C3—C2—C1107.3 (3)C29—C30—H30119.3
C3—C2—H2126.3C32—C31—C36117.7 (3)
C1—C2—H2126.3C32—C31—C10121.6 (3)
C2—C3—C4106.9 (3)C36—C31—C10120.6 (3)
C2—C3—H3126.5C33—C32—C31121.9 (3)
C4—C3—H3126.5C33—C32—H32119.1
N21—C4—C5124.8 (3)C31—C32—H32119.1
N21—C4—C3109.6 (3)C34—C33—C32118.5 (3)
C5—C4—C3125.6 (3)C34—C33—H33120.7
C6—C5—C4125.4 (3)C32—C33—H33120.7
C6—C5—C25118.1 (3)C33—C34—C35121.6 (3)
C4—C5—C25116.5 (3)C33—C34—Cl2119.3 (3)
N22—C6—C5124.7 (3)C35—C34—Cl2119.1 (3)
N22—C6—C7108.8 (3)C34—C35—C36118.9 (3)
C5—C6—C7126.5 (3)C34—C35—H35120.5
C8—C7—C6108.1 (3)C36—C35—H35120.5
C8—C7—H7125.9C35—C36—C31121.4 (3)
C6—C7—H7125.9C35—C36—H36119.3
C7—C8—C9107.3 (3)C31—C36—H36119.3
C7—C8—H8126.3C42—C37—C38118.3 (3)
C9—C8—H8126.3C42—C37—C15121.4 (3)
N22—C9—C10125.5 (3)C38—C37—C15120.2 (3)
N22—C9—C8108.8 (3)C37—C38—C39121.1 (3)
C10—C9—C8125.7 (3)C37—C38—H38119.4
C9—C10—C11124.3 (3)C39—C38—H38119.4
C9—C10—C31118.7 (3)C40—C39—C38118.7 (3)
C11—C10—C31117.0 (3)C40—C39—H39120.7
N23—C11—C10124.7 (3)C38—C39—H39120.7
N23—C11—C12109.5 (3)C41—C40—C39121.7 (3)
C10—C11—C12125.7 (3)C41—C40—Cl3119.6 (3)
C13—C12—C11106.6 (3)C39—C40—Cl3118.7 (2)
C13—C12—H12126.7C40—C41—C42118.7 (3)
C11—C12—H12126.7C40—C41—H41120.6
C12—C13—C14108.2 (3)C42—C41—H41120.6
C12—C13—H13125.9C37—C42—C41121.4 (3)
C14—C13—H13125.9C37—C42—H42119.3
N23—C14—C15125.3 (3)C41—C42—H42119.3
N23—C14—C13109.1 (3)C48—C43—C44118.4 (3)
C15—C14—C13125.6 (3)C48—C43—C20120.9 (3)
C16—C15—C14125.1 (3)C44—C43—C20120.6 (3)
C16—C15—C37117.7 (3)C45—C44—C43120.7 (4)
C14—C15—C37117.2 (3)C45—C44—H44119.7
N24—C16—C15124.5 (3)C43—C44—H44119.7
N24—C16—C17109.6 (3)C46—C45—C44119.2 (3)
C15—C16—C17125.8 (3)C46—C45—H45120.4
C18—C17—C16106.9 (3)C44—C45—H45120.4
C18—C17—H17126.5C45—C46—C47121.2 (3)
C16—C17—H17126.5C45—C46—Cl4120.0 (3)
C17—C18—C19107.4 (3)C47—C46—Cl4118.9 (3)
C17—C18—H18126.3C46—C47—C48118.9 (4)
C19—C18—H18126.3C46—C47—H47120.6
N24—C19—C20124.3 (3)C48—C47—H47120.6
N24—C19—C18110.0 (3)C43—C48—C47121.6 (3)
C20—C19—C18125.7 (3)C43—C48—H48119.2
C19—C20—C1125.3 (3)C47—C48—H48119.2
C19—C20—C43118.1 (3)C54—C49—C50118.3 (3)
C1—C20—C43116.6 (3)C54—C49—H49120.8
C1—N21—C4105.8 (3)C50—C49—H49120.8
C1—N21—Zn126.7 (2)C51—C50—C49120.4 (3)
C4—N21—Zn127.2 (2)C51—C50—H50119.8
C6—N22—C9106.8 (3)C49—C50—H50119.8
C6—N22—Zn126.5 (2)C50—C51—C52119.2 (4)
C9—N22—Zn126.0 (2)C50—C51—H51120.4
C14—N23—C11106.4 (3)C52—C51—H51120.4
C14—N23—Zn126.1 (2)C53—C52—C51121.0 (4)
C11—N23—Zn126.5 (2)C53—C52—H52119.5
C19—N24—C16106.0 (3)C51—C52—H52119.5
C19—N24—Zn127.1 (2)C52—C53—C54118.4 (3)
C16—N24—Zn126.4 (2)C52—C53—H53120.8
C30—C25—C26118.6 (3)C54—C53—H53120.8
C30—C25—C5119.5 (3)C49—C54—C53122.6 (4)
C26—C25—C5121.8 (3)C49—C54—N55118.5 (3)
C25—C26—C27120.4 (3)C53—C54—N55118.9 (3)
C25—C26—H26119.8O56—N55—O57123.5 (3)
C27—C26—H26119.8O56—N55—C54118.9 (3)
C28—C27—C26119.4 (3)O57—N55—C54117.6 (3)
C28—C27—H27120.3
 

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