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The structure of the title compound, [Zn(C92H60N4)(C2H3N)]·C2H3N, shows relatively small saddle-type distortion with ruffling, compared to other dodeca­phenyl­porphyrin complexes.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804016447/br6154sup1.cif
Contains datablocks General, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804016447/br6154Isup2.hkl
Contains datablock I

CCDC reference: 248727

Key indicators

  • Single-crystal X-ray study
  • T = 183 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.054
  • wR factor = 0.165
  • Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.82 Ratio PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ? PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles .......... ?
Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.08 Ratio
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.75 mm PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT213_ALERT_2_C Atom C48 has ADP max/min Ratio ............. 3.30 prolat PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C48 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C95 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 ZN1 -N5 -C93 -C94 91.00 50.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 N1 -ZN1 -N5 -C93 124.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39 N2 -ZN1 -N5 -C93 -145.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 54 N3 -ZN1 -N5 -C93 -55.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 69 N4 -ZN1 -N5 -C93 34.00 28.00 1.555 1.555 1.555 1.555
3 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: TEXSAN (Molecular Structure Corporation and Rigaku, 2000); program(s) used to solve structure: PATTY in DIRDIF94 (Beurskens et al., 1994); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation, 1999); software used to prepare material for publication: TEXSAN (Molecular Structure Corporation, 1999).

(I) top
Crystal data top
[Zn(C92H60N4)(C2H3N)]·C2H3NV = 3485.3 (5) Å3
Mr = 1369.00Z = 2
Triclinic, P1Dx = 1.304 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.7107 Å
a = 11.4472 (7) ÅCell parameters from 8989 reflections
b = 18.136 (2) Åθ = 3.1–27.5°
c = 19.063 (2) ŵ = 0.41 mm1
α = 117.072 (3)°T = 183 K
β = 96.767 (2)°Block, green
γ = 91.495 (3)°0.75 × 0.18 × 0.09 mm
Data collection top
Rigaku/MSC Mercury CCD
diffractometer
11469 reflections with F2 > 2σ(F2)
Detector resolution: 14.62 pixels mm-1Rint = 0.046
ω scansθmax = 27.5°
Absorption correction: numerical
(CrystalClear; Rigaku, 2000)
h = 1410
Tmin = 0.966, Tmax = 0.990k = 2123
27953 measured reflectionsl = 2424
15607 independent reflections
Refinement top
Refinement on F2H-atom parameters not refined
R[F2 > 2σ(F2)] = 0.054 w = 1/[σ2(Fo2) + (0.092[Max(Fo2,0) + 2Fc2]/3)2]
wR(F2) = 0.165(Δ/σ)max = 0.001
S = 1.00Δρmax = 0.89 e Å3
15590 reflectionsΔρmin = 0.62 e Å3
928 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.12485 (2)0.46239 (2)0.27473 (2)0.01930 (7)
N10.0737 (2)0.5758 (1)0.3458 (1)0.0206 (5)
N20.0082 (2)0.4575 (1)0.1784 (1)0.0198 (5)
N30.1448 (2)0.3398 (1)0.2084 (1)0.0196 (5)
N40.2045 (2)0.4559 (1)0.3763 (1)0.0195 (5)
N50.2827 (2)0.5121 (2)0.2488 (1)0.0331 (6)
N60.4947 (5)0.0979 (3)0.6274 (3)0.114 (2)
C10.1081 (2)0.6226 (1)0.4264 (1)0.0198 (6)
C20.0916 (2)0.7095 (1)0.4492 (1)0.0221 (6)
C30.0489 (2)0.7129 (2)0.3806 (1)0.0234 (6)
C40.0307 (2)0.6280 (1)0.3173 (1)0.0221 (6)
C50.0336 (2)0.6043 (1)0.2410 (1)0.0204 (6)
C60.0468 (2)0.5233 (1)0.1768 (1)0.0206 (6)
C70.1279 (2)0.4932 (2)0.1022 (1)0.0220 (6)
C80.1260 (2)0.4087 (2)0.0629 (1)0.0231 (6)
C90.0367 (2)0.3869 (1)0.1100 (1)0.0203 (6)
C100.0056 (2)0.3082 (1)0.0876 (1)0.0205 (6)
C110.1011 (2)0.2908 (1)0.1298 (1)0.0206 (6)
C120.1675 (2)0.2178 (1)0.0974 (1)0.0220 (6)
C130.2498 (2)0.2246 (1)0.1584 (1)0.0224 (6)
C140.2289 (2)0.2983 (1)0.2294 (1)0.0204 (6)
C150.2750 (2)0.3168 (1)0.3080 (1)0.0204 (6)
C160.2618 (2)0.3903 (1)0.3771 (1)0.0198 (6)
C170.3012 (2)0.4085 (1)0.4593 (1)0.0211 (6)
C180.2649 (2)0.4844 (1)0.5073 (1)0.0200 (6)
C190.2041 (2)0.5141 (1)0.4546 (1)0.0192 (6)
C200.1563 (2)0.5912 (1)0.4781 (1)0.0193 (6)
C210.1270 (2)0.7868 (2)0.5252 (1)0.0244 (6)
C220.2334 (2)0.8322 (2)0.5365 (2)0.0314 (7)
C230.2630 (3)0.9093 (2)0.6025 (2)0.0387 (8)
C240.1872 (3)0.9417 (2)0.6583 (2)0.0427 (8)
C250.0819 (3)0.8966 (2)0.6482 (2)0.0410 (8)
C260.0507 (2)0.8198 (2)0.5816 (2)0.0300 (7)
C270.0511 (2)0.7910 (2)0.3737 (1)0.0256 (6)
C280.1429 (3)0.8080 (2)0.3404 (2)0.0363 (8)
C290.1554 (3)0.8825 (2)0.3360 (2)0.0464 (10)
C300.0748 (3)0.9401 (2)0.3658 (2)0.050 (1)
C310.0154 (3)0.9253 (2)0.3998 (2)0.0438 (9)
C320.0275 (3)0.8510 (2)0.4048 (2)0.0335 (7)
C330.1115 (2)0.6675 (1)0.2360 (1)0.0218 (6)
C340.0860 (2)0.7146 (2)0.1981 (2)0.0278 (7)
C350.1604 (3)0.7734 (2)0.1970 (2)0.0335 (8)
C360.2610 (3)0.7849 (2)0.2329 (2)0.0359 (8)
C370.2872 (2)0.7383 (2)0.2708 (2)0.0332 (7)
C380.2122 (2)0.6804 (2)0.2731 (2)0.0277 (7)
C390.2036 (2)0.5389 (2)0.0688 (1)0.0224 (6)
C400.1630 (2)0.5648 (2)0.0161 (2)0.0300 (7)
C410.2366 (3)0.5999 (2)0.0209 (2)0.0381 (8)
C420.3524 (3)0.6107 (2)0.0055 (2)0.0398 (8)
C430.3940 (2)0.5855 (2)0.0459 (2)0.0388 (8)
C440.3202 (2)0.5495 (2)0.0824 (2)0.0307 (7)
C450.2068 (2)0.3554 (2)0.0121 (2)0.0325 (7)
C460.1952 (3)0.3601 (2)0.0817 (2)0.0472 (9)
C470.2749 (5)0.3126 (3)0.1510 (2)0.073 (1)
C480.3656 (5)0.2612 (3)0.1499 (3)0.091 (1)
C490.3787 (3)0.2571 (2)0.0811 (3)0.076 (1)
C500.2990 (3)0.3046 (2)0.0114 (2)0.0479 (9)
C510.0551 (2)0.2348 (1)0.0149 (1)0.0234 (6)
C520.0388 (2)0.2190 (2)0.0615 (2)0.0280 (7)
C530.0964 (3)0.1486 (2)0.1267 (2)0.0381 (8)
C540.1699 (3)0.0947 (2)0.1163 (2)0.0456 (9)
C550.1861 (3)0.1089 (2)0.0405 (2)0.0440 (9)
C560.1285 (3)0.1792 (2)0.0251 (2)0.0325 (7)
C570.1677 (2)0.1507 (2)0.0147 (1)0.0250 (6)
C580.2388 (3)0.1608 (2)0.0345 (2)0.0344 (8)
C590.2511 (3)0.0953 (2)0.1070 (2)0.0418 (9)
C600.1914 (3)0.0181 (2)0.1319 (2)0.0448 (9)
C610.1206 (3)0.0075 (2)0.0835 (2)0.0460 (9)
C620.1095 (3)0.0732 (2)0.0102 (2)0.0381 (8)
C630.3532 (2)0.1741 (2)0.1449 (1)0.0266 (6)
C640.4566 (3)0.2062 (2)0.1333 (2)0.0372 (8)
C650.5523 (3)0.1595 (3)0.1130 (2)0.053 (1)
C660.5461 (3)0.0803 (2)0.1047 (2)0.057 (1)
C670.4452 (3)0.0476 (2)0.1161 (2)0.0523 (10)
C680.3477 (3)0.0941 (2)0.1359 (2)0.0389 (8)
C690.3206 (2)0.2444 (1)0.3176 (1)0.0223 (6)
C700.4400 (2)0.2338 (2)0.3282 (2)0.0283 (7)
C710.4764 (3)0.1645 (2)0.3349 (2)0.0365 (8)
C720.3941 (3)0.1054 (2)0.3313 (2)0.0402 (8)
C730.2749 (3)0.1153 (2)0.3204 (2)0.0384 (8)
C740.2382 (2)0.1843 (2)0.3134 (2)0.0312 (7)
C750.3667 (2)0.3589 (1)0.4935 (1)0.0219 (6)
C760.4891 (2)0.3730 (2)0.5157 (2)0.0274 (7)
C770.5488 (2)0.3319 (2)0.5527 (2)0.0349 (8)
C780.4866 (3)0.2764 (2)0.5689 (2)0.0421 (9)
C790.3647 (3)0.2631 (2)0.5483 (2)0.0433 (9)
C800.3056 (2)0.3044 (2)0.5112 (2)0.0319 (7)
C810.2912 (2)0.5219 (1)0.5959 (1)0.0209 (6)
C820.4063 (2)0.5536 (2)0.6338 (1)0.0246 (6)
C830.4345 (2)0.5840 (2)0.7151 (2)0.0329 (7)
C840.3489 (3)0.5831 (2)0.7598 (2)0.0390 (8)
C850.2363 (3)0.5505 (2)0.7234 (2)0.0361 (8)
C860.2069 (2)0.5195 (2)0.6412 (2)0.0285 (7)
C870.1537 (2)0.6456 (1)0.5647 (1)0.0197 (6)
C880.2516 (2)0.6978 (1)0.6150 (1)0.0222 (6)
C890.2462 (2)0.7481 (2)0.6953 (2)0.0294 (7)
C900.1433 (3)0.7464 (2)0.7260 (2)0.0325 (7)
C910.0448 (2)0.6949 (2)0.6763 (2)0.0308 (7)
C920.0503 (2)0.6452 (2)0.5962 (2)0.0265 (6)
C930.3643 (3)0.5374 (2)0.2356 (2)0.0356 (8)
C940.4686 (3)0.5692 (3)0.2181 (3)0.060 (1)
C950.4187 (5)0.0719 (3)0.5745 (4)0.083 (2)
C960.3236 (5)0.0447 (4)0.5145 (4)0.097 (2)
H10.28750.80910.49820.0364*
H20.33690.94060.60960.0455*
H30.20790.99510.70410.0498*
H40.02860.91820.68730.0467*
H50.02310.78860.57540.0363*
H60.19960.76800.31950.0430*
H70.22090.89480.31430.0553*
H80.08480.99110.36270.0564*
H90.07160.96580.41910.0489*
H100.09080.84070.42930.0394*
H110.01490.70670.17390.0334*
H120.14150.80630.17180.0392*
H130.31250.82600.23310.0417*
H140.35850.74380.29430.0386*
H150.23020.64850.29970.0308*
H160.08220.55900.00680.0354*
H170.20720.61590.05840.0438*
H180.40330.63570.03160.0463*
H190.47460.59340.05700.0456*
H200.35010.53120.11860.0374*
H210.13040.39710.08180.0593*
H220.26500.31790.19920.0884*
H230.41730.22890.19970.1069*
H240.44290.22070.08020.1006*
H250.30740.30170.03820.0585*
H260.01300.25690.06910.0332*
H270.08420.13790.17940.0454*
H280.21070.04740.16190.0524*
H290.23510.07050.03250.0542*
H300.13900.19050.07810.0376*
H310.28040.21460.01750.0399*
H320.30320.10310.13970.0473*
H330.20060.02640.18240.0549*
H340.07760.04520.09990.0528*
H350.06030.06580.02340.0450*
H360.46140.26220.13860.0443*
H370.62350.18260.10380.0642*
H380.61250.04800.09050.0645*
H390.44250.00840.11020.0620*
H400.27660.07080.14320.0477*
H410.49700.27490.33020.0332*
H420.56050.15880.34290.0417*
H430.41810.05730.33640.0473*
H440.21730.07480.31850.0441*
H450.15480.19070.30520.0357*
H460.53260.41120.50400.0327*
H470.63300.34220.56710.0403*
H480.52760.24740.59430.0504*
H490.31930.22510.56000.0508*
H500.22070.29510.49740.0378*
H510.46660.55480.60300.0285*
H520.51440.60550.73980.0384*
H530.36920.60530.81710.0450*
H540.17880.54720.75480.0432*
H550.12780.49660.61550.0317*
H560.32390.69880.59380.0262*
H570.31450.78400.72890.0349*
H580.13950.78030.78160.0371*
H590.02770.69460.69680.0370*
H600.01830.60960.56150.0300*
H610.45000.60190.19210.0749*
H620.52220.60220.26650.0749*
H630.51110.52370.18440.0749*
H640.32360.01310.47800.1182*
H650.24820.05150.53470.1182*
H660.32360.07520.48430.1182*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0219 (2)0.0181 (1)0.0158 (1)0.0035 (1)0.0020 (1)0.0061 (1)
N10.025 (1)0.0187 (10)0.0169 (9)0.0034 (8)0.0003 (8)0.0078 (8)
N20.0226 (10)0.0189 (10)0.0159 (9)0.0037 (8)0.0029 (8)0.0061 (8)
N30.0216 (10)0.0196 (10)0.0152 (9)0.0038 (8)0.0023 (7)0.0059 (8)
N40.0217 (10)0.0181 (10)0.0163 (9)0.0030 (8)0.0020 (7)0.0060 (8)
N50.030 (1)0.038 (1)0.030 (1)0.000 (1)0.0054 (10)0.015 (1)
N60.107 (4)0.103 (4)0.107 (4)0.004 (3)0.001 (3)0.032 (3)
C10.022 (1)0.019 (1)0.016 (1)0.0011 (9)0.0014 (9)0.0060 (9)
C20.025 (1)0.021 (1)0.020 (1)0.0054 (9)0.0030 (9)0.0085 (10)
C30.028 (1)0.022 (1)0.020 (1)0.0057 (10)0.0031 (10)0.009 (1)
C40.025 (1)0.021 (1)0.021 (1)0.0050 (9)0.0042 (9)0.0091 (10)
C50.023 (1)0.021 (1)0.018 (1)0.0029 (9)0.0032 (9)0.0090 (10)
C60.021 (1)0.023 (1)0.019 (1)0.0027 (9)0.0032 (9)0.0112 (10)
C70.021 (1)0.027 (1)0.019 (1)0.0047 (10)0.0052 (9)0.011 (1)
C80.023 (1)0.026 (1)0.018 (1)0.0040 (10)0.0007 (9)0.008 (1)
C90.020 (1)0.022 (1)0.017 (1)0.0030 (9)0.0035 (9)0.0071 (10)
C100.024 (1)0.019 (1)0.016 (1)0.0033 (9)0.0038 (9)0.0059 (9)
C110.024 (1)0.019 (1)0.017 (1)0.0030 (9)0.0042 (9)0.0060 (9)
C120.027 (1)0.018 (1)0.020 (1)0.0055 (9)0.0042 (9)0.0072 (10)
C130.025 (1)0.019 (1)0.020 (1)0.0053 (9)0.0035 (9)0.0062 (10)
C140.019 (1)0.017 (1)0.022 (1)0.0035 (9)0.0030 (9)0.0070 (10)
C150.018 (1)0.021 (1)0.021 (1)0.0027 (9)0.0025 (9)0.0080 (10)
C160.019 (1)0.022 (1)0.019 (1)0.0022 (9)0.0018 (9)0.0097 (10)
C170.021 (1)0.020 (1)0.022 (1)0.0008 (9)0.0011 (9)0.0095 (10)
C180.018 (1)0.022 (1)0.018 (1)0.0001 (9)0.0013 (9)0.0090 (10)
C190.019 (1)0.020 (1)0.016 (1)0.0003 (9)0.0011 (9)0.0073 (9)
C200.018 (1)0.019 (1)0.019 (1)0.0008 (9)0.0016 (9)0.0074 (9)
C210.032 (1)0.019 (1)0.021 (1)0.0066 (10)0.0005 (10)0.008 (1)
C220.034 (1)0.027 (1)0.031 (1)0.004 (1)0.001 (1)0.013 (1)
C230.045 (2)0.026 (1)0.040 (2)0.007 (1)0.014 (1)0.015 (1)
C240.074 (2)0.020 (1)0.024 (1)0.005 (1)0.006 (1)0.005 (1)
C250.062 (2)0.031 (2)0.025 (1)0.018 (1)0.005 (1)0.008 (1)
C260.037 (1)0.029 (1)0.021 (1)0.009 (1)0.004 (1)0.008 (1)
C270.037 (1)0.020 (1)0.017 (1)0.002 (1)0.0011 (10)0.0073 (10)
C280.043 (2)0.035 (2)0.032 (1)0.004 (1)0.005 (1)0.016 (1)
C290.054 (2)0.048 (2)0.047 (2)0.004 (2)0.003 (2)0.032 (2)
C300.069 (2)0.029 (2)0.054 (2)0.004 (2)0.006 (2)0.027 (2)
C310.061 (2)0.025 (1)0.043 (2)0.011 (1)0.002 (2)0.014 (1)
C320.046 (2)0.026 (1)0.027 (1)0.008 (1)0.005 (1)0.011 (1)
C330.028 (1)0.019 (1)0.015 (1)0.0044 (9)0.0026 (9)0.0062 (9)
C340.034 (1)0.030 (1)0.022 (1)0.006 (1)0.004 (1)0.015 (1)
C350.044 (2)0.032 (1)0.032 (1)0.013 (1)0.009 (1)0.021 (1)
C360.040 (2)0.034 (2)0.038 (2)0.015 (1)0.005 (1)0.020 (1)
C370.029 (1)0.036 (2)0.037 (2)0.009 (1)0.009 (1)0.017 (1)
C380.031 (1)0.028 (1)0.025 (1)0.003 (1)0.006 (1)0.013 (1)
C390.024 (1)0.023 (1)0.018 (1)0.0024 (9)0.0007 (9)0.0087 (10)
C400.029 (1)0.036 (1)0.028 (1)0.001 (1)0.003 (1)0.018 (1)
C410.047 (2)0.041 (2)0.031 (2)0.001 (1)0.000 (1)0.022 (1)
C420.039 (2)0.042 (2)0.042 (2)0.005 (1)0.011 (1)0.026 (1)
C430.028 (1)0.045 (2)0.047 (2)0.011 (1)0.002 (1)0.025 (2)
C440.026 (1)0.036 (1)0.034 (1)0.006 (1)0.006 (1)0.019 (1)
C450.031 (1)0.029 (1)0.024 (1)0.013 (1)0.004 (1)0.002 (1)
C460.061 (2)0.042 (2)0.026 (2)0.027 (2)0.004 (1)0.007 (1)
C470.101 (3)0.064 (3)0.028 (2)0.048 (3)0.018 (2)0.001 (2)
C480.082 (3)0.059 (3)0.063 (3)0.028 (2)0.048 (2)0.019 (2)
C490.040 (2)0.048 (2)0.088 (3)0.007 (2)0.027 (2)0.005 (2)
C500.031 (2)0.033 (2)0.055 (2)0.004 (1)0.005 (1)0.001 (1)
C510.026 (1)0.021 (1)0.020 (1)0.0046 (10)0.0007 (9)0.0071 (10)
C520.036 (1)0.025 (1)0.021 (1)0.008 (1)0.003 (1)0.009 (1)
C530.054 (2)0.034 (2)0.019 (1)0.008 (1)0.001 (1)0.006 (1)
C540.059 (2)0.030 (2)0.030 (2)0.005 (1)0.011 (1)0.003 (1)
C550.052 (2)0.034 (2)0.034 (2)0.013 (1)0.005 (1)0.009 (1)
C560.038 (2)0.032 (1)0.025 (1)0.003 (1)0.001 (1)0.012 (1)
C570.033 (1)0.021 (1)0.017 (1)0.010 (1)0.0001 (10)0.0059 (10)
C580.046 (2)0.030 (1)0.027 (1)0.010 (1)0.008 (1)0.013 (1)
C590.061 (2)0.043 (2)0.026 (1)0.023 (2)0.015 (1)0.017 (1)
C600.070 (2)0.035 (2)0.020 (1)0.024 (2)0.004 (1)0.005 (1)
C610.070 (2)0.024 (1)0.031 (2)0.005 (1)0.005 (1)0.001 (1)
C620.053 (2)0.024 (1)0.028 (1)0.000 (1)0.008 (1)0.004 (1)
C630.028 (1)0.024 (1)0.018 (1)0.007 (1)0.0006 (10)0.002 (1)
C640.032 (1)0.038 (2)0.033 (2)0.005 (1)0.006 (1)0.008 (1)
C650.030 (2)0.071 (3)0.044 (2)0.013 (2)0.007 (1)0.013 (2)
C660.037 (2)0.062 (2)0.042 (2)0.027 (2)0.001 (1)0.000 (2)
C670.056 (2)0.031 (2)0.048 (2)0.021 (1)0.008 (2)0.002 (1)
C680.040 (2)0.025 (1)0.040 (2)0.010 (1)0.000 (1)0.006 (1)
C690.027 (1)0.019 (1)0.017 (1)0.0047 (10)0.0019 (9)0.0052 (10)
C700.027 (1)0.026 (1)0.028 (1)0.006 (1)0.001 (1)0.010 (1)
C710.034 (1)0.032 (2)0.039 (2)0.010 (1)0.003 (1)0.014 (1)
C720.049 (2)0.026 (1)0.047 (2)0.010 (1)0.002 (1)0.020 (1)
C730.042 (2)0.029 (1)0.047 (2)0.001 (1)0.006 (1)0.021 (1)
C740.029 (1)0.027 (1)0.035 (1)0.005 (1)0.003 (1)0.013 (1)
C750.027 (1)0.022 (1)0.017 (1)0.0064 (9)0.0021 (9)0.0081 (10)
C760.027 (1)0.029 (1)0.028 (1)0.006 (1)0.003 (1)0.014 (1)
C770.033 (1)0.043 (2)0.029 (1)0.014 (1)0.003 (1)0.017 (1)
C780.053 (2)0.048 (2)0.039 (2)0.018 (1)0.006 (1)0.031 (2)
C790.053 (2)0.046 (2)0.046 (2)0.005 (1)0.010 (1)0.033 (2)
C800.032 (1)0.032 (1)0.037 (2)0.002 (1)0.004 (1)0.020 (1)
C810.027 (1)0.018 (1)0.019 (1)0.0040 (9)0.0019 (9)0.0087 (9)
C820.026 (1)0.026 (1)0.022 (1)0.0043 (10)0.0029 (10)0.011 (1)
C830.033 (1)0.037 (2)0.025 (1)0.006 (1)0.005 (1)0.014 (1)
C840.049 (2)0.049 (2)0.018 (1)0.009 (1)0.001 (1)0.015 (1)
C850.046 (2)0.043 (2)0.028 (1)0.009 (1)0.016 (1)0.021 (1)
C860.030 (1)0.032 (1)0.026 (1)0.003 (1)0.005 (1)0.015 (1)
C870.022 (1)0.019 (1)0.019 (1)0.0036 (9)0.0017 (9)0.0091 (10)
C880.022 (1)0.022 (1)0.021 (1)0.0030 (9)0.0024 (9)0.008 (1)
C890.031 (1)0.027 (1)0.022 (1)0.002 (1)0.001 (1)0.005 (1)
C900.043 (2)0.033 (1)0.020 (1)0.010 (1)0.008 (1)0.010 (1)
C910.032 (1)0.036 (1)0.029 (1)0.009 (1)0.013 (1)0.017 (1)
C920.024 (1)0.028 (1)0.028 (1)0.002 (1)0.004 (1)0.013 (1)
C930.033 (2)0.037 (2)0.038 (2)0.003 (1)0.008 (1)0.017 (1)
C940.039 (2)0.072 (3)0.095 (3)0.005 (2)0.029 (2)0.055 (2)
C950.088 (4)0.062 (3)0.100 (4)0.000 (3)0.011 (3)0.038 (3)
C960.089 (4)0.087 (4)0.119 (5)0.007 (3)0.010 (3)0.058 (4)
Geometric parameters (Å, º) top
Zn1—N12.030 (2)C34—C351.388 (4)
Zn1—N22.106 (2)C35—C361.382 (4)
Zn1—N32.032 (2)C36—C371.385 (4)
Zn1—N42.095 (2)C37—C381.386 (4)
Zn1—N52.204 (2)C39—C401.403 (4)
N1—C11.375 (3)C39—C441.392 (4)
N1—C41.365 (3)C40—C411.382 (4)
N2—C61.374 (3)C41—C421.391 (4)
N2—C91.375 (3)C42—C431.378 (4)
N3—C111.369 (3)C43—C441.388 (4)
N3—C141.370 (3)C45—C461.388 (4)
N4—C161.379 (3)C45—C501.389 (4)
N4—C191.382 (3)C46—C471.399 (5)
N5—C931.133 (3)C47—C481.385 (8)
N6—C951.155 (7)C48—C491.373 (8)
C1—C21.455 (3)C49—C501.403 (5)
C1—C201.415 (3)C51—C521.388 (4)
C2—C31.370 (3)C51—C561.390 (4)
C2—C211.488 (3)C52—C531.388 (4)
C3—C41.450 (3)C53—C541.370 (4)
C3—C271.480 (3)C54—C551.385 (5)
C4—C51.415 (3)C55—C561.391 (4)
C5—C61.411 (3)C57—C581.380 (4)
C5—C331.501 (3)C57—C621.383 (4)
C6—C71.462 (3)C58—C591.379 (4)
C7—C81.367 (3)C59—C601.386 (5)
C7—C391.494 (3)C60—C611.369 (5)
C8—C91.461 (3)C61—C621.387 (4)
C8—C451.489 (3)C63—C641.390 (4)
C9—C101.409 (3)C63—C681.379 (4)
C10—C111.409 (3)C64—C651.384 (4)
C10—C511.491 (3)C65—C661.372 (6)
C11—C121.459 (3)C66—C671.369 (6)
C12—C131.363 (3)C67—C681.400 (4)
C12—C571.491 (3)C69—C701.390 (3)
C13—C141.457 (3)C69—C741.392 (4)
C13—C631.490 (3)C70—C711.389 (4)
C14—C151.409 (3)C71—C721.380 (4)
C15—C161.412 (3)C72—C731.385 (4)
C15—C691.502 (3)C73—C741.388 (4)
C16—C171.459 (3)C75—C761.397 (3)
C17—C181.370 (3)C75—C801.380 (4)
C17—C751.500 (3)C76—C771.384 (4)
C18—C191.459 (3)C77—C781.384 (4)
C18—C811.493 (3)C78—C791.389 (4)
C19—C201.408 (3)C79—C801.383 (4)
C20—C871.493 (3)C81—C821.395 (3)
C21—C221.389 (4)C81—C861.382 (3)
C21—C261.393 (4)C82—C831.381 (4)
C22—C231.388 (4)C83—C841.377 (4)
C23—C241.380 (5)C84—C851.367 (4)
C24—C251.381 (5)C85—C861.396 (4)
C25—C261.392 (4)C87—C881.391 (3)
C27—C281.386 (4)C87—C921.390 (3)
C27—C321.391 (4)C88—C891.390 (4)
C28—C291.396 (4)C89—C901.381 (4)
C29—C301.378 (5)C90—C911.389 (4)
C30—C311.364 (5)C91—C921.387 (4)
C31—C321.398 (4)C93—C941.450 (4)
C33—C341.391 (3)C95—C961.380 (8)
C33—C381.392 (4)
N2···C85i3.582 (3)C30···C96v3.559 (7)
N3···C91i3.499 (3)C31···C31iv3.503 (6)
C23···C71ii3.597 (4)C43···C43vi3.499 (6)
C24···C60iii3.581 (4)C70···C88ii3.581 (4)
C25···C30iv3.598 (4)C83···C93ii3.560 (4)
N1—Zn1—N289.43 (8)C3—C27—C28117.7 (2)
N1—Zn1—N3167.95 (8)C3—C27—C32123.7 (2)
N1—Zn1—N489.39 (8)C28—C27—C32118.4 (2)
N1—Zn1—N594.76 (8)C27—C28—C29121.3 (3)
N2—Zn1—N388.95 (8)C28—C29—C30119.0 (3)
N2—Zn1—N4166.19 (7)C29—C30—C31120.8 (3)
N2—Zn1—N596.18 (8)C30—C31—C32120.2 (3)
N3—Zn1—N489.34 (8)C27—C32—C31120.2 (3)
N3—Zn1—N597.28 (8)C5—C33—C34123.2 (2)
N4—Zn1—N597.63 (8)C5—C33—C38117.7 (2)
Zn1—N1—C1126.8 (2)C34—C33—C38119.1 (2)
Zn1—N1—C4122.9 (2)C33—C34—C35120.4 (2)
C1—N1—C4107.4 (2)C34—C35—C36120.1 (3)
Zn1—N2—C6125.6 (2)C35—C36—C37120.0 (2)
Zn1—N2—C9126.2 (2)C36—C37—C38120.1 (2)
C6—N2—C9107.8 (2)C33—C38—C37120.3 (2)
Zn1—N3—C11126.9 (2)C7—C39—C40120.8 (2)
Zn1—N3—C14123.9 (2)C7—C39—C44121.0 (2)
C11—N3—C14107.3 (2)C40—C39—C44117.9 (2)
Zn1—N4—C16125.9 (2)C39—C40—C41121.0 (2)
Zn1—N4—C19126.7 (2)C40—C41—C42119.9 (3)
C16—N4—C19107.3 (2)C41—C42—C43119.9 (3)
Zn1—N5—C93179.5 (2)C42—C43—C44120.0 (3)
N1—C1—C2109.3 (2)C39—C44—C43121.2 (3)
N1—C1—C20124.9 (2)C8—C45—C46120.4 (3)
C2—C1—C20125.7 (2)C8—C45—C50119.8 (3)
C1—C2—C3106.4 (2)C46—C45—C50119.6 (3)
C1—C2—C21131.9 (2)C45—C46—C47120.0 (4)
C3—C2—C21121.0 (2)C46—C47—C48119.9 (4)
C2—C3—C4107.0 (2)C47—C48—C49120.5 (3)
C2—C3—C27123.1 (2)C48—C49—C50120.0 (4)
C4—C3—C27128.4 (2)C45—C50—C49120.0 (4)
N1—C4—C3109.5 (2)C10—C51—C52122.8 (2)
N1—C4—C5126.4 (2)C10—C51—C56117.9 (2)
C3—C4—C5123.8 (2)C52—C51—C56119.3 (2)
C4—C5—C6125.2 (2)C51—C52—C53119.9 (3)
C4—C5—C33114.9 (2)C52—C53—C54120.5 (3)
C6—C5—C33118.7 (2)C53—C54—C55120.4 (3)
N2—C6—C5124.1 (2)C54—C55—C56119.3 (3)
N2—C6—C7109.0 (2)C51—C56—C55120.5 (3)
C5—C6—C7126.7 (2)C12—C57—C58120.6 (2)
C6—C7—C8107.1 (2)C12—C57—C62120.3 (2)
C6—C7—C39130.9 (2)C58—C57—C62118.5 (2)
C8—C7—C39122.0 (2)C57—C58—C59120.7 (3)
C7—C8—C9106.7 (2)C58—C59—C60120.4 (3)
C7—C8—C45122.4 (2)C59—C60—C61119.3 (3)
C9—C8—C45130.8 (2)C60—C61—C62120.2 (3)
N2—C9—C8109.2 (2)C57—C62—C61120.9 (3)
N2—C9—C10124.0 (2)C13—C63—C64118.1 (2)
C8—C9—C10126.5 (2)C13—C63—C68123.1 (2)
C9—C10—C11125.5 (2)C64—C63—C68118.5 (3)
C9—C10—C51119.5 (2)C63—C64—C65121.3 (3)
C11—C10—C51115.0 (2)C64—C65—C66119.7 (3)
N3—C11—C10124.7 (2)C65—C66—C67119.9 (3)
N3—C11—C12109.5 (2)C66—C67—C68120.7 (3)
C10—C11—C12125.7 (2)C63—C68—C67119.9 (3)
C11—C12—C13106.5 (2)C15—C69—C70123.4 (2)
C11—C12—C57132.2 (2)C15—C69—C74117.8 (2)
C13—C12—C57120.8 (2)C70—C69—C74118.8 (2)
C12—C13—C14106.9 (2)C69—C70—C71120.6 (3)
C12—C13—C63122.4 (2)C70—C71—C72120.2 (3)
C14—C13—C63129.4 (2)C71—C72—C73119.6 (3)
N3—C14—C13109.2 (2)C72—C73—C74120.3 (3)
N3—C14—C15125.3 (2)C69—C74—C73120.5 (2)
C13—C14—C15124.9 (2)C17—C75—C76120.9 (2)
C14—C15—C16125.6 (2)C17—C75—C80120.3 (2)
C14—C15—C69114.7 (2)C76—C75—C80118.5 (2)
C16—C15—C69118.6 (2)C75—C76—C77121.1 (2)
N4—C16—C15124.2 (2)C76—C77—C78119.7 (3)
N4—C16—C17109.1 (2)C77—C78—C79119.5 (3)
C15—C16—C17126.7 (2)C78—C79—C80120.5 (3)
C16—C17—C18107.4 (2)C75—C80—C79120.7 (3)
C16—C17—C75131.1 (2)C18—C81—C82119.5 (2)
C18—C17—C75121.5 (2)C18—C81—C86121.7 (2)
C17—C18—C19106.7 (2)C82—C81—C86118.5 (2)
C17—C18—C81121.2 (2)C81—C82—C83120.7 (2)
C19—C18—C81132.1 (2)C82—C83—C84120.2 (2)
N4—C19—C18109.5 (2)C83—C84—C85119.9 (2)
N4—C19—C20124.1 (2)C84—C85—C86120.4 (2)
C18—C19—C20126.3 (2)C81—C86—C85120.3 (2)
C1—C20—C19125.7 (2)C20—C87—C88121.9 (2)
C1—C20—C87115.7 (2)C20—C87—C92119.3 (2)
C19—C20—C87118.6 (2)C88—C87—C92118.7 (2)
C2—C21—C22119.2 (2)C87—C88—C89120.6 (2)
C2—C21—C26121.6 (2)C88—C89—C90120.1 (2)
C22—C21—C26118.8 (2)C89—C90—C91119.9 (2)
C21—C22—C23120.7 (3)C90—C91—C92119.8 (2)
C22—C23—C24120.2 (3)C87—C92—C91120.9 (2)
C23—C24—C25119.5 (3)N5—C93—C94179.6 (3)
C24—C25—C26120.7 (3)N6—C95—C96176.3 (6)
C21—C26—C25120.0 (3)
Zn1—N1—C1—C2157.9 (2)C9—C10—C51—C5278.0 (3)
Zn1—N1—C1—C2019.8 (3)C9—C10—C51—C56103.7 (3)
Zn1—N1—C4—C3156.1 (2)C10—C9—C8—C4510.2 (4)
Zn1—N1—C4—C530.5 (3)C10—C11—N3—C14174.2 (2)
Zn1—N2—C6—C50.9 (3)C10—C11—C12—C13178.7 (2)
Zn1—N2—C6—C7175.3 (1)C10—C11—C12—C579.4 (4)
Zn1—N2—C9—C8172.6 (2)C10—C51—C52—C53178.9 (2)
Zn1—N2—C9—C1012.2 (3)C10—C51—C56—C55179.1 (3)
Zn1—N3—C11—C1021.0 (3)C11—N3—C14—C137.4 (3)
Zn1—N3—C11—C12159.8 (2)C11—N3—C14—C15163.9 (2)
Zn1—N3—C14—C13157.9 (2)C11—C10—C51—C52103.7 (3)
Zn1—N3—C14—C1530.8 (3)C11—C10—C51—C5674.5 (3)
Zn1—N4—C16—C150.1 (3)C11—C12—C13—C143.9 (3)
Zn1—N4—C16—C17177.9 (1)C11—C12—C13—C63164.4 (2)
Zn1—N4—C19—C18177.5 (1)C11—C12—C57—C5886.4 (4)
Zn1—N4—C19—C205.2 (3)C11—C12—C57—C62102.5 (3)
Zn1—N5—C93—C9491 (50)C12—C11—N3—C145.0 (3)
N1—Zn1—N2—C613.0 (2)C12—C11—C10—C5120.9 (3)
N1—Zn1—N2—C9159.1 (2)C12—C13—C14—C15164.2 (2)
N1—Zn1—N3—C1189.0 (4)C12—C13—C63—C6489.9 (3)
N1—Zn1—N3—C14108.6 (4)C12—C13—C63—C6883.7 (4)
N1—Zn1—N4—C16178.6 (2)C12—C57—C58—C59171.5 (3)
N1—Zn1—N4—C192.4 (2)C12—C57—C62—C61172.3 (3)
N1—Zn1—N5—C93124 (28)C13—C12—C57—C5884.6 (3)
N1—C1—C2—C30.9 (3)C13—C12—C57—C6286.4 (3)
N1—C1—C2—C21171.6 (2)C13—C14—C15—C16175.7 (2)
N1—C1—C20—C1917.0 (4)C13—C14—C15—C6916.5 (3)
N1—C1—C20—C87162.3 (2)C13—C63—C64—C65173.8 (3)
N1—C4—C3—C26.4 (3)C13—C63—C68—C67174.1 (3)
N1—C4—C3—C27159.7 (2)C14—C13—C12—C57177.0 (2)
N1—C4—C5—C611.5 (4)C14—C13—C63—C6475.5 (4)
N1—C4—C5—C33155.7 (2)C14—C13—C63—C68110.9 (3)
N2—Zn1—N1—C1175.6 (2)C14—C15—C16—C17175.2 (2)
N2—Zn1—N1—C426.2 (2)C14—C15—C69—C70103.5 (3)
N2—Zn1—N3—C116.7 (2)C14—C15—C69—C7474.8 (3)
N2—Zn1—N3—C14169.1 (2)C15—C14—C13—C6328.6 (4)
N2—Zn1—N4—C1693.5 (3)C15—C16—N4—C19176.8 (2)
N2—Zn1—N4—C1982.8 (4)C15—C16—C17—C18176.7 (2)
N2—Zn1—N5—C93145 (28)C15—C16—C17—C752.1 (4)
N2—C6—C5—C44.6 (4)C15—C69—C70—C71178.5 (2)
N2—C6—C5—C33171.4 (2)C15—C69—C74—C73178.9 (3)
N2—C6—C7—C84.1 (3)C16—N4—C19—C180.7 (2)
N2—C6—C7—C39176.3 (2)C16—N4—C19—C20178.0 (2)
N2—C9—C8—C73.3 (3)C16—C15—C69—C7087.7 (3)
N2—C9—C8—C45174.7 (3)C16—C15—C69—C7493.9 (3)
N2—C9—C10—C112.2 (4)C16—C17—C18—C190.7 (3)
N2—C9—C10—C51175.9 (2)C16—C17—C18—C81179.9 (2)
N3—Zn1—N1—C193.3 (4)C16—C17—C75—C7696.5 (3)
N3—Zn1—N1—C4108.4 (4)C16—C17—C75—C8090.3 (3)
N3—Zn1—N2—C6178.9 (2)C17—C16—N4—C191.1 (2)
N3—Zn1—N2—C99.0 (2)C17—C16—C15—C697.8 (4)
N3—Zn1—N4—C1610.6 (2)C17—C18—C19—C20177.2 (2)
N3—Zn1—N4—C19165.6 (2)C17—C18—C81—C8272.7 (3)
N3—Zn1—N5—C9355 (28)C17—C18—C81—C86101.4 (3)
N3—C11—C10—C920.0 (4)C17—C75—C76—C77175.0 (2)
N3—C11—C10—C51158.1 (2)C17—C75—C80—C79175.1 (3)
N3—C11—C12—C130.5 (3)C18—C17—C75—C7684.9 (3)
N3—C11—C12—C57171.5 (2)C18—C17—C75—C8088.3 (3)
N3—C14—C13—C127.2 (3)C18—C19—C20—C877.5 (3)
N3—C14—C13—C63160.0 (2)C18—C81—C82—C83176.1 (2)
N3—C14—C15—C1614.3 (4)C18—C81—C86—C85176.0 (2)
N3—C14—C15—C69153.5 (2)C19—C18—C17—C75179.5 (2)
N4—Zn1—N1—C19.4 (2)C19—C18—C81—C82106.4 (3)
N4—Zn1—N1—C4167.6 (2)C19—C18—C81—C8679.5 (3)
N4—Zn1—N2—C698.2 (3)C19—C20—C87—C8882.8 (3)
N4—Zn1—N2—C973.9 (4)C19—C20—C87—C9298.1 (3)
N4—Zn1—N3—C11173.0 (2)C20—C1—C2—C216.1 (4)
N4—Zn1—N3—C1424.6 (2)C20—C19—C18—C811.9 (4)
N4—Zn1—N5—C9334 (28)C20—C87—C88—C89179.6 (2)
N4—C16—C15—C142.2 (4)C20—C87—C92—C91179.9 (2)
N4—C16—C15—C69169.6 (2)C21—C2—C3—C279.2 (4)
N4—C16—C17—C181.1 (3)C21—C22—C23—C240.5 (4)
N4—C16—C17—C75179.8 (2)C21—C26—C25—C241.3 (4)
N4—C19—C18—C170.0 (3)C22—C21—C26—C250.5 (4)
N4—C19—C18—C81179.2 (2)C22—C23—C24—C250.3 (4)
N4—C19—C20—C13.7 (4)C23—C22—C21—C260.4 (4)
N4—C19—C20—C87175.6 (2)C23—C24—C25—C261.3 (4)
N5—Zn1—N1—C188.2 (2)C27—C28—C29—C300.3 (5)
N5—Zn1—N1—C470.0 (2)C27—C32—C31—C301.2 (5)
N5—Zn1—N2—C681.7 (2)C28—C27—C32—C312.0 (4)
N5—Zn1—N2—C9106.2 (2)C28—C29—C30—C310.6 (5)
N5—Zn1—N3—C1189.4 (2)C29—C28—C27—C321.6 (4)
N5—Zn1—N3—C1473.0 (2)C29—C30—C31—C320.1 (5)
N5—Zn1—N4—C1686.6 (2)C33—C34—C35—C360.5 (4)
N5—Zn1—N4—C1997.1 (2)C33—C38—C37—C361.3 (4)
C1—N1—C4—C35.8 (3)C34—C33—C38—C371.3 (4)
C1—N1—C4—C5167.7 (2)C34—C35—C36—C370.5 (4)
C1—C2—C3—C44.3 (3)C35—C34—C33—C380.4 (4)
C1—C2—C3—C27162.7 (2)C35—C36—C37—C380.4 (4)
C1—C2—C21—C2293.5 (3)C39—C7—C8—C455.7 (4)
C1—C2—C21—C2693.6 (3)C39—C40—C41—C420.6 (4)
C1—C20—C19—C18173.2 (2)C39—C44—C43—C420.6 (5)
C1—C20—C87—C8897.9 (3)C40—C39—C44—C430.8 (4)
C1—C20—C87—C9281.2 (3)C40—C41—C42—C430.8 (5)
C2—C1—N1—C43.1 (3)C41—C40—C39—C440.2 (4)
C2—C1—C20—C19160.3 (2)C41—C42—C43—C440.2 (5)
C2—C1—C20—C8720.4 (3)C45—C46—C47—C480.2 (5)
C2—C3—C4—C5167.2 (2)C45—C50—C49—C480.2 (5)
C2—C3—C27—C2897.5 (3)C46—C45—C50—C491.1 (4)
C2—C3—C27—C3276.9 (3)C46—C47—C48—C490.7 (6)
C2—C21—C22—C23172.6 (2)C47—C46—C45—C501.1 (4)
C2—C21—C26—C25173.3 (2)C47—C48—C49—C500.7 (6)
C3—C2—C1—C20176.7 (2)C51—C52—C53—C540.3 (4)
C3—C2—C21—C2276.0 (3)C51—C56—C55—C540.1 (5)
C3—C2—C21—C2696.8 (3)C52—C51—C56—C550.8 (4)
C3—C4—C5—C6175.9 (2)C52—C53—C54—C551.2 (5)
C3—C4—C5—C3316.8 (3)C53—C52—C51—C560.6 (4)
C3—C27—C28—C29176.2 (3)C53—C54—C55—C561.0 (5)
C3—C27—C32—C31176.3 (3)C57—C12—C13—C638.7 (4)
C4—N1—C1—C20179.3 (2)C57—C58—C59—C600.4 (5)
C4—C3—C2—C21176.2 (2)C57—C62—C61—C601.1 (5)
C4—C3—C27—C2866.6 (4)C58—C57—C62—C611.1 (4)
C4—C3—C27—C32119.1 (3)C58—C59—C60—C610.4 (5)
C4—C5—C6—C7168.8 (2)C59—C58—C57—C620.3 (4)
C4—C5—C33—C34107.4 (3)C59—C60—C61—C620.4 (5)
C4—C5—C33—C3870.9 (3)C63—C64—C65—C660.6 (5)
C5—C4—C3—C2726.7 (4)C63—C68—C67—C660.6 (5)
C5—C6—N2—C9172.4 (2)C64—C63—C68—C670.4 (4)
C5—C6—C7—C8170.1 (2)C64—C65—C66—C670.4 (5)
C5—C6—C7—C399.4 (4)C65—C64—C63—C680.2 (4)
C5—C33—C34—C35178.6 (2)C65—C66—C67—C680.2 (5)
C5—C33—C38—C37179.7 (2)C69—C70—C71—C720.3 (4)
C6—N2—C9—C80.7 (3)C69—C74—C73—C720.2 (5)
C6—N2—C9—C10174.5 (2)C70—C69—C74—C730.5 (4)
C6—C5—C33—C3484.5 (3)C70—C71—C72—C730.5 (5)
C6—C5—C33—C3897.2 (3)C71—C70—C69—C740.2 (4)
C6—C7—C8—C94.4 (3)C71—C72—C73—C740.3 (5)
C6—C7—C8—C45173.9 (2)C75—C17—C18—C811.2 (3)
C6—C7—C39—C4094.1 (3)C75—C76—C77—C780.6 (4)
C6—C7—C39—C4492.6 (3)C75—C80—C79—C780.7 (5)
C7—C6—N2—C92.0 (3)C76—C75—C80—C791.7 (4)
C7—C6—C5—C332.1 (4)C76—C77—C78—C790.5 (5)
C7—C8—C9—C10171.7 (2)C77—C76—C75—C801.7 (4)
C7—C8—C45—C4667.8 (3)C77—C78—C79—C800.5 (5)
C7—C8—C45—C50108.1 (3)C81—C82—C83—C840.3 (4)
C7—C39—C40—C41173.7 (3)C81—C86—C85—C840.3 (4)
C7—C39—C44—C43174.3 (3)C82—C81—C86—C851.8 (4)
C8—C7—C39—C4086.4 (3)C82—C83—C84—C851.2 (5)
C8—C7—C39—C4486.9 (3)C83—C82—C81—C861.8 (4)
C8—C9—C10—C11172.2 (2)C83—C84—C85—C861.2 (5)
C8—C9—C10—C519.7 (4)C87—C88—C89—C900.2 (4)
C8—C45—C46—C47177.0 (3)C87—C92—C91—C900.7 (4)
C8—C45—C50—C49177.1 (3)C88—C87—C92—C911.0 (4)
C9—C8—C7—C39176.0 (2)C88—C89—C90—C910.5 (4)
C9—C8—C45—C46114.4 (3)C89—C88—C87—C920.5 (4)
C9—C8—C45—C5069.7 (4)C89—C90—C91—C920.0 (4)
C9—C10—C11—C12160.9 (2)C89—C90—C91—C920.0 (4)
Symmetry codes: (i) x, y+1, z+1; (ii) x+1, y+1, z+1; (iii) x, y+1, z+1; (iv) x, y+2, z+1; (v) x, y+1, z; (vi) x1, y+1, z.
 

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