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The structure of the title compound, [ZnCl(C23H21N5)]ClO4·H2O, has been determined at 113 K, revealing a discrete mononuclear six-coordinate ZnII structure with a fairly large displacement [0.502 (2) Å] of ZnII from the equatorial plane of N atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804019889/wk6023sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804019889/wk6023Isup2.hkl
Contains datablock I

CCDC reference: 251605

Key indicators

  • Single-crystal X-ray study
  • T = 113 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.056
  • wR factor = 0.163
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level A 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 C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.44 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Zn1 - N5 .. 5.68 su PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for Cl2 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 CL(1-ZN(1-N(1)-C(1) -135.00 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 CL(1-ZN(1-N(1)-C(7) 101.00 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 CL(1-ZN(1-N(1)-C(13 -17.00 1.00 1.555 1.555 1.555 1.555
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear (Rigaku, 2000) and TEXSAN (Version 1.11; Molecular Structure Corporation and Rigaku, 2000); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN (Version 1.10; Molecular Structure Corporation, 1999); molecular graphics: ORTEP in TEXSAN (Version 1.11); software used to prepare material for publication: TEXSAN (Version 1.11).

(I) top
Crystal data top
[ZnCl(C23H21N5)]ClO4·H2OF(000) = 1200
Mr = 585.75Dx = 1.544 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.7107 Å
a = 14.635 (7) ÅCell parameters from 8514 reflections
b = 12.476 (5) Åθ = 4.5–27.5°
c = 15.314 (7) ŵ = 1.23 mm1
β = 115.726 (5)°T = 113 K
V = 2519 (2) Å3Prism, colorless
Z = 40.60 × 0.40 × 0.20 mm
Data collection top
Rigaku/MSC Mercury CCD
diffractometer
4985 reflections with F2 > 2σ(F2)
Detector resolution: 14.62 pixels mm-1Rint = 0.057
ω scansθmax = 27.5°
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2000)
h = 1818
Tmin = 0.466, Tmax = 0.780k = 916
19298 measured reflectionsl = 1919
5808 independent reflections
Refinement top
Refinement on F2H-atom parameters not refined
R[F2 > 2σ(F2)] = 0.056 w = 1/[σ2(Fo2) + (0.075(Max(Fo2,0) + 2Fc2)/3)2]
wR(F2) = 0.163(Δ/σ)max = 0.001
S = 1.51Δρmax = 1.78 e Å3
4985 reflectionsΔρmin = 0.73 e Å3
325 parameters
Special details top

Refinement. Refinement using reflections with F2 > 2.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn(1)0.97549 (3)0.26654 (3)0.67108 (2)0.0194 (1)
Cl(1)0.97340 (7)0.38018 (7)0.55576 (5)0.0329 (2)
Cl(2)0.85881 (5)0.15924 (6)1.02484 (5)0.0225 (2)
O(1)0.8749 (2)0.2506 (2)0.9770 (2)0.0401 (7)
O(2)0.7607 (2)0.1132 (3)0.9677 (3)0.0525 (8)
O(3)0.9337 (2)0.0785 (2)1.0356 (2)0.0337 (6)
O(4)0.8688 (3)0.1895 (2)1.1192 (2)0.0462 (8)
O(5)0.5502 (2)0.1657 (2)0.8864 (2)0.0405 (7)
N(1)0.9819 (2)0.1486 (2)0.7860 (2)0.0176 (5)
N(2)0.8267 (2)0.2836 (2)0.6681 (2)0.0215 (6)
N(3)1.0307 (2)0.3650 (2)0.7984 (2)0.0211 (6)
N(4)1.1284 (2)0.1908 (2)0.7239 (2)0.0216 (6)
N(5)0.9293 (2)0.1148 (2)0.5938 (2)0.0224 (6)
C(1)0.8783 (2)0.1256 (2)0.7732 (2)0.0210 (7)
C(2)0.8054 (2)0.2179 (2)0.7259 (2)0.0209 (7)
C(3)0.7187 (2)0.2290 (3)0.7397 (2)0.0267 (8)
C(4)0.6509 (3)0.3111 (3)0.6899 (2)0.0306 (8)
C(5)0.6719 (3)0.3779 (2)0.6302 (2)0.0277 (7)
C(6)0.7615 (3)0.3634 (2)0.6214 (2)0.0256 (7)
C(7)1.0462 (2)0.1942 (2)0.8825 (2)0.0222 (7)
C(8)1.0545 (2)0.3151 (2)0.8828 (2)0.0222 (7)
C(9)1.0879 (3)0.3720 (3)0.9693 (2)0.0275 (8)
C(10)1.0985 (3)0.4825 (3)0.9677 (3)0.0328 (9)
C(11)1.0724 (3)0.5335 (3)0.8795 (3)0.0326 (9)
C(12)1.0385 (3)0.4730 (2)0.7973 (2)0.0271 (8)
C(13)1.0296 (2)0.0569 (2)0.7592 (2)0.0195 (6)
C(14)1.1317 (2)0.0954 (2)0.7672 (2)0.0196 (6)
C(15)1.2209 (2)0.0379 (2)0.8143 (2)0.0233 (7)
C(16)1.3104 (2)0.0793 (3)0.8157 (2)0.0272 (7)
C(17)1.3062 (2)0.1746 (3)0.7685 (2)0.0260 (7)
C(18)1.2135 (2)0.2287 (2)0.7237 (2)0.0243 (7)
C(19)0.9641 (2)0.0297 (2)0.6530 (2)0.0216 (7)
C(20)0.9455 (3)0.0748 (2)0.6194 (2)0.0278 (8)
C(21)0.8868 (3)0.0918 (3)0.5200 (3)0.0360 (9)
C(22)0.8511 (3)0.0045 (3)0.4594 (2)0.0336 (8)
C(23)0.8745 (3)0.0988 (3)0.4988 (2)0.0294 (8)
H(1)1.03720.00100.79930.0228*
H(2)0.97360.13320.66700.0228*
H(3)0.85390.06330.73380.0257*
H(4)0.87980.11180.83510.0257*
H(5)1.01840.17390.92610.0261*
H(6)1.11270.16420.90520.0261*
H(7)0.70530.18220.78180.0319*
H(8)0.58930.31940.69660.0359*
H(9)0.62590.43380.59530.0324*
H(10)0.77730.41070.58100.0299*
H(11)1.10280.33591.02910.0332*
H(12)1.12500.52301.02620.0389*
H(13)1.07810.60910.87780.0386*
H(14)1.01960.50800.73630.0331*
H(15)1.22140.02910.84530.0279*
H(16)1.37280.04150.84790.0315*
H(17)1.36580.20390.76680.0313*
H(18)1.21100.29490.69210.0279*
H(19)0.87260.16340.49540.0432*
H(20)0.81100.01420.39130.0404*
H(21)0.85050.15980.45700.0349*
H(22)0.62120.14390.90320.0228*
H(23)0.52640.15460.93480.0228*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn(1)0.0232 (2)0.0153 (2)0.0197 (2)0.0009 (1)0.0094 (2)0.0035 (1)
Cl(1)0.0447 (5)0.0278 (4)0.0254 (4)0.0069 (3)0.0145 (3)0.0084 (3)
Cl(2)0.0240 (4)0.0194 (3)0.0268 (4)0.0027 (3)0.0137 (3)0.0011 (2)
O(1)0.066 (2)0.026 (1)0.036 (1)0.010 (1)0.029 (1)0.002 (1)
O(2)0.023 (1)0.046 (2)0.079 (2)0.009 (1)0.013 (1)0.009 (2)
O(3)0.031 (1)0.031 (1)0.037 (1)0.007 (1)0.013 (1)0.004 (1)
O(4)0.088 (2)0.027 (1)0.046 (2)0.001 (1)0.050 (2)0.002 (1)
O(5)0.031 (1)0.036 (1)0.052 (2)0.002 (1)0.017 (1)0.003 (1)
N(1)0.017 (1)0.016 (1)0.020 (1)0.0023 (9)0.0084 (9)0.0012 (9)
N(2)0.022 (1)0.018 (1)0.024 (1)0.0018 (9)0.0089 (10)0.0011 (9)
N(3)0.026 (1)0.016 (1)0.022 (1)0.0009 (9)0.0105 (10)0.0027 (9)
N(4)0.021 (1)0.022 (1)0.021 (1)0.0006 (10)0.0081 (10)0.0029 (9)
N(5)0.022 (1)0.024 (1)0.022 (1)0.0001 (10)0.0104 (10)0.0015 (9)
C(1)0.022 (1)0.017 (1)0.026 (1)0.002 (1)0.013 (1)0.002 (1)
C(2)0.023 (1)0.018 (1)0.021 (1)0.002 (1)0.009 (1)0.0010 (10)
C(3)0.025 (1)0.032 (2)0.022 (1)0.003 (1)0.008 (1)0.001 (1)
C(4)0.026 (2)0.034 (2)0.029 (2)0.010 (1)0.009 (1)0.005 (1)
C(5)0.030 (2)0.019 (1)0.026 (1)0.008 (1)0.005 (1)0.004 (1)
C(6)0.030 (2)0.016 (1)0.024 (1)0.003 (1)0.005 (1)0.002 (1)
C(7)0.028 (1)0.019 (1)0.020 (1)0.005 (1)0.011 (1)0.005 (1)
C(8)0.020 (1)0.023 (1)0.025 (1)0.000 (1)0.011 (1)0.001 (1)
C(9)0.033 (2)0.026 (2)0.026 (1)0.002 (1)0.015 (1)0.001 (1)
C(10)0.043 (2)0.025 (2)0.034 (2)0.009 (1)0.019 (2)0.010 (1)
C(11)0.041 (2)0.017 (1)0.045 (2)0.006 (1)0.023 (2)0.002 (1)
C(12)0.032 (2)0.016 (1)0.035 (2)0.001 (1)0.017 (1)0.004 (1)
C(13)0.022 (1)0.013 (1)0.025 (1)0.001 (1)0.012 (1)0.0041 (10)
C(14)0.022 (1)0.018 (1)0.020 (1)0.001 (1)0.010 (1)0.0007 (10)
C(15)0.022 (1)0.025 (1)0.023 (1)0.005 (1)0.010 (1)0.002 (1)
C(16)0.022 (1)0.036 (2)0.022 (1)0.002 (1)0.009 (1)0.001 (1)
C(17)0.023 (1)0.029 (1)0.030 (1)0.006 (1)0.015 (1)0.003 (1)
C(18)0.023 (1)0.022 (1)0.029 (2)0.003 (1)0.013 (1)0.001 (1)
C(19)0.024 (1)0.020 (1)0.027 (1)0.003 (1)0.017 (1)0.000 (1)
C(20)0.033 (2)0.021 (1)0.032 (2)0.002 (1)0.017 (1)0.006 (1)
C(21)0.043 (2)0.030 (2)0.040 (2)0.008 (1)0.022 (2)0.013 (1)
C(22)0.029 (2)0.044 (2)0.023 (1)0.005 (1)0.008 (1)0.011 (1)
C(23)0.027 (2)0.036 (2)0.025 (1)0.003 (1)0.012 (1)0.000 (1)
Geometric parameters (Å, º) top
Zn(1)—Cl(1)2.2546 (8)C(1)—C(2)1.523 (4)
Zn(1)—N(1)2.264 (2)C(2)—C(3)1.380 (4)
Zn(1)—N(2)2.169 (3)C(3)—C(4)1.400 (4)
Zn(1)—N(3)2.143 (3)C(4)—C(5)1.368 (5)
Zn(1)—N(4)2.233 (3)C(5)—C(6)1.388 (5)
Zn(1)—N(5)2.178 (3)C(7)—C(8)1.513 (4)
Cl(2)—O(1)1.429 (3)C(8)—C(9)1.392 (4)
Cl(2)—O(2)1.438 (3)C(9)—C(10)1.389 (4)
Cl(2)—O(3)1.444 (3)C(10)—C(11)1.388 (5)
Cl(2)—O(4)1.438 (3)C(11)—C(12)1.363 (5)
N(1)—C(1)1.471 (4)C(13)—C(14)1.523 (4)
N(1)—C(7)1.479 (4)C(13)—C(19)1.525 (4)
N(1)—C(13)1.487 (4)C(14)—C(15)1.387 (4)
N(2)—C(2)1.339 (4)C(15)—C(16)1.400 (4)
N(2)—C(6)1.349 (4)C(16)—C(17)1.379 (4)
N(3)—C(8)1.338 (4)C(17)—C(18)1.399 (4)
N(3)—C(12)1.353 (4)C(19)—C(20)1.385 (4)
N(4)—C(14)1.353 (4)C(20)—C(21)1.402 (5)
N(4)—C(18)1.334 (4)C(21)—C(22)1.379 (6)
N(5)—C(19)1.344 (4)C(22)—C(23)1.400 (5)
N(5)—C(23)1.337 (4)
Cl(1)···O(5)i3.294 (3)O(3)···C(13)vi3.399 (4)
Cl(1)···C(16)ii3.443 (3)O(3)···C(5)iv3.420 (4)
O(1)···C(11)iii3.347 (4)O(3)···C(7)vi3.594 (4)
O(1)···C(3)3.360 (4)O(4)···C(17)vii3.281 (4)
O(1)···C(10)iii3.416 (4)O(4)···C(18)vii3.454 (4)
O(1)···C(7)3.467 (4)O(4)···C(15)vi3.460 (4)
O(1)···C(1)3.508 (4)O(4)···C(11)iii3.559 (4)
O(1)···C(9)3.513 (5)O(4)···C(13)vi3.567 (4)
O(1)···C(2)3.548 (4)O(5)···C(17)viii3.230 (4)
O(1)···C(8)3.595 (4)O(5)···C(20)ix3.241 (4)
O(2)···O(5)2.852 (4)O(5)···C(21)ix3.303 (5)
O(2)···C(6)iv3.361 (4)O(5)···C(16)viii3.369 (4)
O(2)···C(3)3.577 (5)O(5)···C(12)iv3.494 (4)
O(3)···C(5)v3.189 (4)C(5)···C(7)ii3.539 (4)
O(3)···O(3)vi3.261 (5)C(10)···C(10)iii3.458 (8)
O(3)···C(4)v3.326 (4)
Cl(1)—Zn(1)—N(1)177.85 (7)Zn(1)—N(5)—C(19)112.5 (2)
Cl(1)—Zn(1)—N(2)104.47 (7)Zn(1)—N(5)—C(23)128.3 (2)
Cl(1)—Zn(1)—N(3)102.92 (7)C(19)—N(5)—C(23)119.2 (3)
Cl(1)—Zn(1)—N(4)102.76 (7)N(1)—C(1)—C(2)112.6 (2)
Cl(1)—Zn(1)—N(5)103.04 (7)N(2)—C(2)—C(1)117.5 (3)
N(1)—Zn(1)—N(2)77.44 (9)N(2)—C(2)—C(3)122.2 (3)
N(1)—Zn(1)—N(3)78.07 (9)C(1)—C(2)—C(3)120.3 (3)
N(1)—Zn(1)—N(4)75.30 (9)C(2)—C(3)—C(4)118.2 (3)
N(1)—Zn(1)—N(5)75.87 (9)C(3)—C(4)—C(5)119.8 (3)
N(2)—Zn(1)—N(3)86.66 (10)C(4)—C(5)—C(6)118.9 (3)
N(2)—Zn(1)—N(4)152.68 (10)N(2)—C(6)—C(5)121.7 (3)
N(2)—Zn(1)—N(5)90.12 (10)N(1)—C(7)—C(8)113.7 (2)
N(3)—Zn(1)—N(4)89.41 (10)N(3)—C(8)—C(7)118.3 (3)
N(3)—Zn(1)—N(5)153.82 (9)N(3)—C(8)—C(9)121.3 (3)
N(4)—Zn(1)—N(5)81.65 (9)C(7)—C(8)—C(9)120.4 (3)
O(1)—Cl(2)—O(2)110.5 (2)C(8)—C(9)—C(10)119.0 (3)
O(1)—Cl(2)—O(3)109.2 (2)C(9)—C(10)—C(11)119.2 (3)
O(1)—Cl(2)—O(4)109.8 (2)C(10)—C(11)—C(12)118.7 (3)
O(2)—Cl(2)—O(3)107.4 (2)N(3)—C(12)—C(11)122.7 (3)
O(2)—Cl(2)—O(4)110.8 (2)N(1)—C(13)—C(14)107.3 (2)
O(3)—Cl(2)—O(4)109.1 (2)N(1)—C(13)—C(19)108.2 (2)
Zn(1)—N(1)—C(1)109.3 (2)C(14)—C(13)—C(19)107.2 (2)
Zn(1)—N(1)—C(7)108.7 (2)N(4)—C(14)—C(13)114.4 (2)
Zn(1)—N(1)—C(13)98.7 (2)N(4)—C(14)—C(15)122.4 (3)
C(1)—N(1)—C(7)112.3 (2)C(13)—C(14)—C(15)123.3 (3)
C(1)—N(1)—C(13)113.1 (2)C(14)—C(15)—C(16)118.8 (3)
C(7)—N(1)—C(13)113.6 (2)C(15)—C(16)—C(17)118.8 (3)
Zn(1)—N(2)—C(2)116.5 (2)C(16)—C(17)—C(18)119.1 (3)
Zn(1)—N(2)—C(6)123.8 (2)N(4)—C(18)—C(17)122.4 (3)
C(2)—N(2)—C(6)119.3 (3)N(5)—C(19)—C(13)115.0 (3)
Zn(1)—N(3)—C(8)116.7 (2)N(5)—C(19)—C(20)122.5 (3)
Zn(1)—N(3)—C(12)124.1 (2)C(13)—C(19)—C(20)122.5 (3)
C(8)—N(3)—C(12)119.1 (3)C(19)—C(20)—C(21)118.4 (3)
Zn(1)—N(4)—C(14)111.5 (2)C(20)—C(21)—C(22)119.1 (3)
Zn(1)—N(4)—C(18)129.7 (2)C(21)—C(22)—C(23)119.1 (3)
C(14)—N(4)—C(18)118.6 (3)N(5)—C(23)—C(22)121.7 (3)
Zn(1)—N(1)—C(1)—C(2)27.5 (3)N(3)—Zn(1)—N(5)—C(23)163.0 (3)
Zn(1)—N(1)—C(7)—C(8)23.1 (3)N(3)—C(8)—C(9)—C(10)1.2 (5)
Zn(1)—N(1)—C(13)—C(14)59.5 (2)N(3)—C(12)—C(11)—C(10)1.1 (6)
Zn(1)—N(1)—C(13)—C(19)55.9 (2)N(4)—Zn(1)—N(1)—C(1)161.0 (2)
Zn(1)—N(2)—C(2)—C(1)10.8 (3)N(4)—Zn(1)—N(1)—C(7)76.0 (2)
Zn(1)—N(2)—C(2)—C(3)172.0 (2)N(4)—Zn(1)—N(1)—C(13)42.6 (2)
Zn(1)—N(2)—C(6)—C(5)172.8 (2)N(4)—Zn(1)—N(2)—C(2)0.1 (4)
Zn(1)—N(3)—C(8)—C(7)3.3 (3)N(4)—Zn(1)—N(2)—C(6)171.7 (2)
Zn(1)—N(3)—C(8)—C(9)177.9 (2)N(4)—Zn(1)—N(3)—C(8)67.5 (2)
Zn(1)—N(3)—C(12)—C(11)178.9 (3)N(4)—Zn(1)—N(3)—C(12)115.5 (3)
Zn(1)—N(4)—C(14)—C(13)6.8 (3)N(4)—Zn(1)—N(5)—C(19)53.0 (2)
Zn(1)—N(4)—C(14)—C(15)173.5 (2)N(4)—Zn(1)—N(5)—C(23)125.8 (3)
Zn(1)—N(4)—C(18)—C(17)173.6 (2)N(4)—C(14)—C(13)—C(19)68.3 (3)
Zn(1)—N(5)—C(19)—C(13)1.5 (3)N(4)—C(14)—C(15)—C(16)1.1 (4)
Zn(1)—N(5)—C(19)—C(20)178.9 (2)N(4)—C(18)—C(17)—C(16)0.8 (5)
Zn(1)—N(5)—C(23)—C(22)179.7 (3)N(5)—Zn(1)—N(1)—C(1)76.1 (2)
Cl(1)—Zn(1)—N(1)—C(1)135 (1)N(5)—Zn(1)—N(1)—C(7)161.0 (2)
Cl(1)—Zn(1)—N(1)—C(7)101 (1)N(5)—Zn(1)—N(1)—C(13)42.3 (2)
Cl(1)—Zn(1)—N(1)—C(13)17 (1)N(5)—Zn(1)—N(2)—C(2)71.7 (2)
Cl(1)—Zn(1)—N(2)—C(2)175.2 (2)N(5)—Zn(1)—N(2)—C(6)116.5 (2)
Cl(1)—Zn(1)—N(2)—C(6)13.0 (2)N(5)—Zn(1)—N(3)—C(8)2.0 (4)
Cl(1)—Zn(1)—N(3)—C(8)170.5 (2)N(5)—Zn(1)—N(3)—C(12)175.0 (2)
Cl(1)—Zn(1)—N(3)—C(12)12.5 (3)N(5)—Zn(1)—N(4)—C(14)56.5 (2)
Cl(1)—Zn(1)—N(4)—C(14)158.0 (2)N(5)—Zn(1)—N(4)—C(18)128.1 (3)
Cl(1)—Zn(1)—N(4)—C(18)26.5 (3)N(5)—C(19)—C(13)—C(14)73.4 (3)
Cl(1)—Zn(1)—N(5)—C(19)154.2 (2)N(5)—C(19)—C(20)—C(21)0.9 (5)
Cl(1)—Zn(1)—N(5)—C(23)24.5 (3)N(5)—C(23)—C(22)—C(21)1.1 (5)
N(1)—Zn(1)—N(2)—C(2)3.8 (2)C(1)—N(1)—C(7)—C(8)98.1 (3)
N(1)—Zn(1)—N(2)—C(6)168.1 (3)C(1)—N(1)—C(13)—C(14)175.0 (2)
N(1)—Zn(1)—N(3)—C(8)7.6 (2)C(1)—N(1)—C(13)—C(19)59.6 (3)
N(1)—Zn(1)—N(3)—C(12)169.4 (3)C(1)—C(2)—N(2)—C(6)177.0 (3)
N(1)—Zn(1)—N(4)—C(14)21.0 (2)C(1)—C(2)—C(3)—C(4)176.1 (3)
N(1)—Zn(1)—N(4)—C(18)154.4 (3)C(2)—N(2)—C(6)—C(5)1.2 (4)
N(1)—Zn(1)—N(5)—C(19)23.9 (2)C(2)—C(1)—N(1)—C(7)93.3 (3)
N(1)—Zn(1)—N(5)—C(23)157.4 (3)C(2)—C(1)—N(1)—C(13)136.5 (2)
N(1)—C(1)—C(2)—N(2)26.6 (4)C(2)—C(3)—C(4)—C(5)0.4 (5)
N(1)—C(1)—C(2)—C(3)156.1 (3)C(3)—C(2)—N(2)—C(6)0.2 (5)
N(1)—C(7)—C(8)—N(3)18.8 (4)C(3)—C(4)—C(5)—C(6)0.9 (5)
N(1)—C(7)—C(8)—C(9)162.5 (3)C(7)—N(1)—C(13)—C(14)55.4 (3)
N(1)—C(13)—C(14)—N(4)47.7 (3)C(7)—N(1)—C(13)—C(19)170.8 (2)
N(1)—C(13)—C(14)—C(15)132.6 (3)C(7)—C(8)—N(3)—C(12)179.5 (3)
N(1)—C(13)—C(19)—N(5)42.1 (3)C(7)—C(8)—C(9)—C(10)177.5 (3)
N(1)—C(13)—C(19)—C(20)140.5 (3)C(8)—N(3)—C(12)—C(11)1.9 (5)
N(2)—Zn(1)—N(1)—C(1)17.3 (2)C(8)—C(7)—N(1)—C(13)131.9 (3)
N(2)—Zn(1)—N(1)—C(7)105.7 (2)C(8)—C(9)—C(10)—C(11)2.0 (6)
N(2)—Zn(1)—N(1)—C(13)135.6 (2)C(9)—C(8)—N(3)—C(12)0.7 (5)
N(2)—Zn(1)—N(3)—C(8)85.4 (2)C(9)—C(10)—C(11)—C(12)0.9 (6)
N(2)—Zn(1)—N(3)—C(12)91.6 (3)C(13)—C(14)—N(4)—C(18)177.2 (3)
N(2)—Zn(1)—N(4)—C(14)17.3 (3)C(13)—C(14)—C(15)—C(16)178.6 (3)
N(2)—Zn(1)—N(4)—C(18)158.1 (3)C(13)—C(19)—N(5)—C(23)177.4 (3)
N(2)—Zn(1)—N(5)—C(19)100.9 (2)C(13)—C(19)—C(20)—C(21)178.1 (3)
N(2)—Zn(1)—N(5)—C(23)80.4 (3)C(14)—N(4)—C(18)—C(17)1.6 (5)
N(2)—C(2)—C(3)—C(4)1.0 (5)C(14)—C(13)—C(19)—C(20)104.1 (3)
N(2)—C(6)—C(5)—C(4)1.7 (5)C(14)—C(15)—C(16)—C(17)1.3 (5)
N(3)—Zn(1)—N(1)—C(1)106.5 (2)C(15)—C(14)—N(4)—C(18)2.5 (4)
N(3)—Zn(1)—N(1)—C(7)16.5 (2)C(15)—C(14)—C(13)—C(19)111.4 (3)
N(3)—Zn(1)—N(1)—C(13)135.2 (2)C(15)—C(16)—C(17)—C(18)2.2 (5)
N(3)—Zn(1)—N(2)—C(2)82.3 (2)C(19)—N(5)—C(23)—C(22)1.0 (5)
N(3)—Zn(1)—N(2)—C(6)89.5 (2)C(19)—C(20)—C(21)—C(22)0.8 (5)
N(3)—Zn(1)—N(4)—C(14)98.9 (2)C(20)—C(19)—N(5)—C(23)0.0 (4)
N(3)—Zn(1)—N(4)—C(18)76.6 (3)C(20)—C(21)—C(22)—C(23)0.1 (6)
N(3)—Zn(1)—N(5)—C(19)18.2 (3)C(20)—C(21)—C(22)—C(23)0.1 (6)
Symmetry codes: (i) x+1/2, y+1/2, z1/2; (ii) x1/2, y+1/2, z1/2; (iii) x+2, y+1, z+2; (iv) x+3/2, y1/2, z+3/2; (v) x+1/2, y+1/2, z+1/2; (vi) x+2, y, z+2; (vii) x1/2, y+1/2, z+1/2; (viii) x1, y, z; (ix) x+3/2, y+1/2, z+3/2.
 

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