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In the title complex, [Cu(BF4)2(1tpc)4] [1tpc is 1-(3-chloro­propyl)-1,2,4-triazole, C5H8ClN3], the copper(II) centres reside in a tetragonally distorted octahedral coordination environment. Four 1tpc ligands are coordinated to the metal atom via the N4 atom of the triazole rings in a square-planar arrangement, with Cu—N bond lengths in the range 2.002 (2)–2.019 (2) Å. Two tetra­fluoro­borate anions, in the axial positions above and below the square plane, are weakly coordinated to the copper(II) centre, with Cu—F distances of 2.4009 (18) and 2.5096 (18) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102003086/gg1102sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102003086/gg1102Isup2.hkl
Contains datablock I

CCDC reference: 184471

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: HKL-2000 (Otwinowski & Minor, 1997); data reduction: HKL-2000; program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2002); software used to prepare material for publication: PLATON.

Tetrakis[1-(3-chloropropyl)-1,2,4-triazole- κN4]bis(tetrafluoroborato)copper(II) top
Crystal data top
[Cu(BF4)2(C5H8ClN3)4]Z = 2
Mr = 819.54F(000) = 830
Triclinic, P1Dx = 1.632 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.8647 (2) ÅCell parameters from 60147 reflections
b = 13.3168 (3) Åθ = 1.0–27.5°
c = 15.1469 (4) ŵ = 1.06 mm1
α = 72.1540 (8)°T = 150 K
β = 78.6200 (9)°Plate, light blue
γ = 88.3480 (15)°0.27 × 0.18 × 0.06 mm
V = 1667.63 (7) Å3
Data collection top
Nonius KappaCCD
diffractometer
5574 reflections with I > 2σ(I)
Radiation source: rotating anodeRint = 0.049
Graphite monochromatorθmax = 27.5°, θmin = 1.4°
φ and ω scansh = 1111
26534 measured reflectionsk = 1717
7607 independent reflectionsl = 1919
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)] = 0.050Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.129H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0577P)2 + 1.2707P]
where P = (Fo2 + 2Fc2)/3
7607 reflections(Δ/σ)max < 0.001
446 parametersΔρmax = 1.00 e Å3
29 restraintsΔρmin = 0.48 e Å3
Special details top

Experimental. Determinations of C, H, and N were performed with a Perkin Elmer 2400 Series II analyzer. Magnetic susceptibilities (2–300 K) were measured at 1000 G using a Quantum Design MPMS-5 5 T SQUID magnetometer. Data were corrected for the diamagnetism of the holder and the sample [estimated from the Pascal constants (Mulay, L. N. (1963). Treatise on Analytical Chemistry, Part 1, Vol. 4, edited by I. M. Kolthoff & P. J. Elving, pp. 1751–1883. New York: John Wiley & Sons)]. X-band powder EPR spectra were obtained on a Jeol RE2x electron spin resonance spectrometer using DPPH (g = 2.0036) as a standard. Vis-NIR spectra were obtained on a Perkin-Elmer Lambda 900 spectrophotometer using the diffuse reflectance technique with MgO as a reference.

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*/UeqOcc. (<1)
Cu10.23953 (4)0.25714 (3)0.24702 (2)0.02190 (11)
N10.5239 (3)0.52248 (18)0.11445 (17)0.0261 (5)
N20.3976 (3)0.5621 (2)0.08040 (19)0.0323 (6)
N40.3500 (3)0.39680 (18)0.17786 (17)0.0243 (5)
C30.2948 (4)0.4843 (2)0.1204 (2)0.0316 (7)
H30.19200.48840.11040.038*
C50.4948 (3)0.4248 (2)0.1716 (2)0.0273 (7)
H50.56680.38130.20340.033*
C6A0.6648 (4)0.5888 (2)0.0889 (2)0.0358 (8)0.857 (3)
H6A0.68570.62580.02000.043*0.857 (3)
H6B0.75280.54350.10350.043*0.857 (3)
C7A0.6502 (7)0.6702 (3)0.1428 (3)0.0365 (10)0.857 (3)
H7A0.73500.72390.11300.044*0.857 (3)
H7B0.55190.70650.13720.044*0.857 (3)
C8A0.6551 (4)0.6220 (3)0.2470 (3)0.0384 (10)0.857 (3)
H8A0.58120.56100.27510.046*0.857 (3)
H8B0.62360.67480.28040.046*0.857 (3)
Cl9A0.84393 (14)0.57958 (11)0.26284 (10)0.0635 (6)0.857 (3)
C6B0.6648 (4)0.5888 (2)0.0889 (2)0.0358 (8)0.143 (3)
H6C0.67080.64060.02540.043*0.143 (3)
H6D0.75610.54430.08680.043*0.143 (3)
C7B0.664 (5)0.6464 (19)0.1617 (18)0.0365 (10)0.143 (3)
H7C0.55820.66560.18510.044*0.143 (3)
H7D0.73060.71120.13440.044*0.143 (3)
C8B0.727 (4)0.5666 (14)0.2414 (14)0.056 (5)0.143 (3)
H8C0.82140.53540.21530.067*0.143 (3)
H8D0.64960.50910.27720.067*0.143 (3)
Cl9B0.7687 (14)0.6376 (7)0.3162 (7)0.087 (4)0.143 (3)
N110.0419 (3)0.00986 (19)0.39190 (17)0.0264 (5)
N120.0950 (3)0.0574 (2)0.3911 (2)0.0349 (6)
N140.1296 (3)0.11551 (18)0.31373 (17)0.0242 (5)
C130.1941 (4)0.0207 (2)0.3430 (2)0.0338 (7)
H130.30200.01150.32990.041*
C150.0204 (3)0.0928 (2)0.3454 (2)0.0265 (6)
H150.09980.14220.33630.032*
C160.1858 (4)0.0705 (2)0.4397 (2)0.0335 (7)
H16A0.26240.02330.46150.040*
H16B0.16710.12690.49630.040*
C170.2525 (4)0.1204 (2)0.3774 (2)0.0339 (7)
H17A0.16970.15440.34360.041*
H17B0.33070.17570.41740.041*
C180.3257 (4)0.0389 (3)0.3063 (2)0.0388 (8)
H18A0.24540.01230.26220.047*
H18B0.40090.00010.33980.047*
Cl190.42204 (11)0.09895 (7)0.23996 (7)0.0491 (2)
N210.5502 (3)0.13428 (19)0.06715 (17)0.0257 (5)
N220.4190 (3)0.1150 (2)0.04015 (19)0.0319 (6)
N240.3664 (3)0.19370 (18)0.15412 (17)0.0228 (5)
C230.3120 (3)0.1519 (2)0.0947 (2)0.0297 (7)
H230.20580.14940.09270.036*
C250.5176 (3)0.1813 (2)0.1339 (2)0.0266 (6)
H250.59120.20280.16290.032*
C260.7002 (3)0.1029 (2)0.0244 (2)0.0284 (7)
H26A0.68720.03610.01040.034*
H26B0.77060.09050.06970.034*
C270.7700 (4)0.1878 (3)0.0660 (3)0.0414 (8)
H27A0.70880.19100.11480.050*
H27B0.76440.25700.05410.050*
C280.9360 (4)0.1682 (3)0.1031 (3)0.0431 (9)
H28A0.99570.16040.05280.052*
H28B0.97970.23030.15710.052*
Cl290.95614 (11)0.05301 (8)0.14080 (7)0.0520 (3)
N310.0595 (3)0.36817 (18)0.44066 (17)0.0231 (5)
N320.0702 (3)0.3713 (2)0.47541 (18)0.0282 (6)
N340.1214 (3)0.31735 (18)0.34562 (17)0.0227 (5)
C330.1767 (3)0.3410 (2)0.4151 (2)0.0261 (6)
H330.28210.33610.41970.031*
C350.0281 (3)0.3364 (2)0.3644 (2)0.0259 (6)
H350.10100.32840.32850.031*
C360.2087 (3)0.3940 (2)0.4884 (2)0.0278 (6)
H36A0.27970.41210.44340.033*
H36B0.19540.45660.50860.033*
C370.2795 (4)0.3027 (3)0.5745 (2)0.0330 (7)
H37A0.38910.31700.59420.040*
H37B0.27620.23780.55540.040*
C380.2037 (4)0.2819 (3)0.6583 (2)0.0395 (8)
H38A0.09220.27290.63860.047*
H38B0.24780.21570.70690.047*
Cl390.23119 (11)0.38936 (7)0.70862 (6)0.0457 (2)
F10.0335 (2)0.31776 (15)0.16409 (15)0.0453 (5)
F20.0295 (3)0.3126 (2)0.01767 (16)0.0681 (7)
F30.0958 (2)0.18615 (16)0.14357 (16)0.0504 (5)
F40.1866 (2)0.34998 (18)0.10698 (17)0.0578 (6)
B10.0564 (4)0.2938 (3)0.1070 (3)0.0293 (8)
F110.4293 (2)0.18958 (15)0.35275 (14)0.0396 (5)
F130.5805 (3)0.13003 (18)0.46161 (15)0.0565 (6)
F140.5304 (2)0.30392 (17)0.41066 (18)0.0551 (6)
F120.6834 (2)0.22866 (19)0.31270 (16)0.0576 (6)
B110.5557 (4)0.2129 (3)0.3859 (3)0.0304 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.01794 (19)0.02215 (19)0.0253 (2)0.00251 (13)0.00073 (14)0.00883 (14)
N10.0246 (13)0.0239 (12)0.0272 (13)0.0041 (10)0.0017 (10)0.0056 (10)
N20.0351 (15)0.0250 (13)0.0367 (15)0.0012 (11)0.0108 (12)0.0070 (11)
N40.0229 (12)0.0211 (12)0.0285 (14)0.0020 (10)0.0019 (10)0.0089 (10)
C30.0305 (17)0.0263 (16)0.0398 (19)0.0021 (13)0.0087 (14)0.0118 (14)
C50.0249 (15)0.0222 (14)0.0295 (16)0.0029 (12)0.0018 (12)0.0019 (12)
C6A0.0283 (17)0.0299 (16)0.0412 (19)0.0101 (13)0.0023 (14)0.0042 (14)
C7A0.037 (2)0.029 (2)0.037 (2)0.010 (2)0.0096 (18)0.001 (2)
C8A0.034 (2)0.037 (2)0.044 (2)0.0041 (17)0.0092 (18)0.0104 (18)
Cl9A0.0478 (7)0.0626 (9)0.0609 (9)0.0042 (6)0.0222 (6)0.0164 (7)
C6B0.0283 (17)0.0299 (16)0.0412 (19)0.0101 (13)0.0023 (14)0.0042 (14)
C7B0.037 (2)0.029 (2)0.037 (2)0.010 (2)0.0096 (18)0.001 (2)
C8B0.051 (9)0.051 (9)0.064 (9)0.006 (8)0.023 (8)0.004 (9)
Cl9B0.143 (9)0.061 (5)0.070 (6)0.015 (5)0.048 (6)0.021 (4)
N110.0233 (13)0.0246 (12)0.0292 (14)0.0011 (10)0.0052 (10)0.0051 (10)
N120.0274 (14)0.0251 (13)0.0504 (18)0.0030 (11)0.0127 (13)0.0058 (12)
N140.0203 (12)0.0228 (12)0.0294 (13)0.0008 (9)0.0057 (10)0.0073 (10)
C130.0233 (16)0.0301 (16)0.047 (2)0.0026 (13)0.0076 (14)0.0109 (15)
C150.0214 (15)0.0234 (14)0.0307 (16)0.0002 (11)0.0027 (12)0.0039 (12)
C160.0293 (17)0.0301 (16)0.0321 (17)0.0066 (13)0.0012 (13)0.0010 (13)
C170.0312 (17)0.0293 (16)0.0367 (18)0.0076 (13)0.0040 (14)0.0045 (14)
C180.0399 (19)0.0323 (17)0.042 (2)0.0047 (14)0.0116 (16)0.0056 (15)
Cl190.0550 (6)0.0443 (5)0.0471 (5)0.0105 (4)0.0187 (4)0.0063 (4)
N210.0209 (12)0.0278 (13)0.0288 (14)0.0007 (10)0.0044 (10)0.0096 (11)
N220.0287 (14)0.0360 (14)0.0384 (16)0.0027 (11)0.0109 (12)0.0196 (12)
N240.0199 (12)0.0224 (12)0.0261 (13)0.0010 (9)0.0008 (10)0.0098 (10)
C230.0252 (16)0.0307 (16)0.0369 (18)0.0003 (12)0.0068 (13)0.0151 (14)
C250.0230 (15)0.0302 (15)0.0286 (16)0.0033 (12)0.0028 (12)0.0128 (13)
C260.0233 (15)0.0296 (16)0.0313 (17)0.0016 (12)0.0012 (13)0.0109 (13)
C270.042 (2)0.0306 (17)0.042 (2)0.0052 (15)0.0036 (16)0.0052 (15)
C280.0341 (19)0.0381 (19)0.050 (2)0.0036 (15)0.0069 (16)0.0124 (16)
Cl290.0429 (5)0.0517 (5)0.0593 (6)0.0035 (4)0.0120 (4)0.0272 (5)
N310.0199 (12)0.0246 (12)0.0242 (13)0.0007 (9)0.0033 (10)0.0073 (10)
N320.0255 (13)0.0330 (14)0.0288 (14)0.0000 (10)0.0057 (11)0.0131 (11)
N340.0203 (12)0.0212 (12)0.0260 (13)0.0001 (9)0.0016 (10)0.0081 (10)
C330.0225 (15)0.0278 (15)0.0296 (16)0.0021 (12)0.0053 (12)0.0110 (13)
C350.0251 (15)0.0273 (15)0.0265 (16)0.0005 (12)0.0055 (12)0.0098 (12)
C360.0235 (15)0.0315 (16)0.0278 (16)0.0018 (12)0.0016 (12)0.0105 (13)
C370.0324 (17)0.0348 (17)0.0298 (17)0.0026 (14)0.0010 (14)0.0099 (14)
C380.046 (2)0.0374 (18)0.0324 (18)0.0035 (15)0.0029 (15)0.0094 (15)
Cl390.0532 (5)0.0497 (5)0.0355 (5)0.0018 (4)0.0054 (4)0.0171 (4)
F10.0452 (12)0.0439 (11)0.0589 (13)0.0015 (9)0.0314 (10)0.0200 (10)
F20.0555 (14)0.101 (2)0.0418 (13)0.0244 (13)0.0128 (11)0.0247 (13)
F30.0550 (13)0.0391 (11)0.0603 (14)0.0087 (10)0.0177 (11)0.0148 (10)
F40.0334 (11)0.0586 (14)0.0758 (16)0.0143 (10)0.0140 (11)0.0116 (12)
B10.0195 (17)0.038 (2)0.0297 (19)0.0028 (14)0.0032 (14)0.0105 (15)
F110.0288 (10)0.0482 (11)0.0501 (12)0.0012 (8)0.0159 (9)0.0221 (10)
F130.0655 (15)0.0547 (13)0.0454 (13)0.0109 (11)0.0228 (11)0.0033 (10)
F140.0400 (12)0.0519 (13)0.0935 (18)0.0104 (10)0.0338 (12)0.0393 (13)
F120.0256 (10)0.0846 (17)0.0532 (14)0.0021 (10)0.0000 (10)0.0124 (12)
B110.0198 (17)0.040 (2)0.0318 (19)0.0015 (14)0.0064 (14)0.0102 (16)
Geometric parameters (Å, º) top
Cu1—N42.005 (2)C18—H18A0.9900
Cu1—N142.019 (2)C18—H18B0.9900
Cu1—N242.002 (2)N21—C251.326 (4)
Cu1—N342.009 (2)N21—N221.362 (3)
Cu1—F12.4009 (18)N21—C261.468 (4)
Cu1—F112.5096 (18)N22—C231.318 (4)
N1—C51.323 (4)N24—C251.332 (4)
N1—N21.350 (3)N24—C231.358 (4)
N1—C6A1.467 (4)C23—H230.9500
N2—C31.313 (4)C25—H250.9500
N4—C51.324 (4)C26—C271.514 (4)
N4—C31.367 (4)C26—H26A0.9900
C3—H30.9500C26—H26B0.9900
C5—H50.9500C27—C281.513 (5)
C6A—C7A1.534 (5)C27—H27A0.9900
C6A—H6A0.9900C27—H27B0.9900
C6A—H6B0.9900C28—Cl291.787 (4)
C7A—C8A1.520 (5)C28—H28A0.9900
C7A—H7A0.9900C28—H28B0.9900
C7A—H7B0.9900N31—C351.326 (4)
C8A—Cl9A1.789 (4)N31—N321.363 (3)
C8A—H8A0.9900N31—C361.462 (4)
C8A—H8B0.9900N32—C331.324 (4)
C7B—C8B1.531 (11)N34—C351.333 (4)
C7B—H7C0.9900N34—C331.364 (4)
C7B—H7D0.9900C33—H330.9500
C8B—Cl9B1.776 (10)C35—H350.9500
C8B—H8C0.9900C36—C371.523 (4)
C8B—H8D0.9900C36—H36A0.9900
N11—C151.332 (4)C36—H36B0.9900
N11—N121.353 (3)C37—C381.501 (5)
N11—C161.462 (4)C37—H37A0.9900
N12—C131.310 (4)C37—H37B0.9900
N14—C151.331 (4)C38—Cl391.805 (4)
N14—C131.354 (4)C38—H38A0.9900
C13—H130.9500C38—H38B0.9900
C15—H150.9500F1—B11.393 (4)
C16—C171.520 (5)F2—B11.368 (4)
C16—H16A0.9900F3—B11.396 (4)
C16—H16B0.9900F4—B11.357 (4)
C17—C181.508 (4)F11—B111.393 (4)
C17—H17A0.9900F13—B111.375 (4)
C17—H17B0.9900F14—B111.375 (4)
C18—Cl191.803 (3)F12—B111.389 (4)
N4—Cu1—N3490.48 (9)C17—C18—H18A109.3
N24—Cu1—N489.92 (9)Cl19—C18—H18A109.3
N24—Cu1—N1488.80 (10)C17—C18—H18B109.3
N34—Cu1—N1490.83 (9)Cl19—C18—H18B109.3
N4—Cu1—N14178.60 (10)H18A—C18—H18B108.0
N24—Cu1—N34176.46 (9)C25—N21—N22110.2 (2)
N4—Cu1—F188.66 (8)C25—N21—C26129.0 (2)
N14—Cu1—F190.97 (8)N22—N21—C26120.9 (2)
N24—Cu1—F198.28 (9)C23—N22—N21102.5 (2)
N34—Cu1—F185.25 (9)C25—N24—C23103.0 (2)
N4—Cu1—F1195.41 (8)C25—N24—Cu1131.1 (2)
N14—Cu1—F1185.11 (8)C23—N24—Cu1125.9 (2)
N24—Cu1—F1187.83 (8)N22—C23—N24114.4 (3)
N34—Cu1—F1188.62 (8)N22—C23—H23122.8
F1—Cu1—F11172.68 (7)N24—C23—H23122.8
C5—N1—N2110.5 (2)N21—C25—N24109.9 (3)
C5—N1—C6A129.6 (3)N21—C25—H25125.1
N2—N1—C6A119.9 (2)N24—C25—H25125.1
C3—N2—N1103.1 (2)N21—C26—C27110.7 (2)
C5—N4—C3103.4 (2)N21—C26—H26A109.5
C5—N4—Cu1129.0 (2)C27—C26—H26A109.5
C3—N4—Cu1127.5 (2)N21—C26—H26B109.5
N2—C3—N4113.4 (3)C27—C26—H26B109.5
N2—C3—H3123.3H26A—C26—H26B108.1
N4—C3—H3123.3C28—C27—C26112.5 (3)
N1—C5—N4109.6 (3)C28—C27—H27A109.1
N1—C5—H5125.2C26—C27—H27A109.1
N4—C5—H5125.2C28—C27—H27B109.1
N1—C6A—C7A111.3 (3)C26—C27—H27B109.1
N1—C6A—H6A109.4H27A—C27—H27B107.8
C7A—C6A—H6A109.4C27—C28—Cl29112.7 (2)
N1—C6A—H6B109.4C27—C28—H28A109.1
C7A—C6A—H6B109.4Cl29—C28—H28A109.1
H6A—C6A—H6B108.0C27—C28—H28B109.1
C8A—C7A—C6A113.3 (3)Cl29—C28—H28B109.1
C8A—C7A—H7A108.9H28A—C28—H28B107.8
C6A—C7A—H7A108.9C35—N31—N32110.6 (2)
C8A—C7A—H7B108.9C35—N31—C36128.4 (2)
C6A—C7A—H7B108.9N32—N31—C36121.0 (2)
H7A—C7A—H7B107.7C33—N32—N31102.5 (2)
C7A—C8A—Cl9A111.3 (3)C35—N34—C33103.3 (2)
C7A—C8A—H8A109.4C35—N34—Cu1129.8 (2)
Cl9A—C8A—H8A109.4C33—N34—Cu1126.79 (19)
C7A—C8A—H8B109.4N32—C33—N34114.0 (3)
Cl9A—C8A—H8B109.4N32—C33—H33123.0
H8A—C8A—H8B108.0N34—C33—H33123.0
C8B—C7B—H7C110.9N31—C35—N34109.7 (3)
C8B—C7B—H7D110.9N31—C35—H35125.1
H7C—C7B—H7D108.9N34—C35—H35125.1
C7B—C8B—Cl9B106.4 (10)N31—C36—C37112.0 (2)
C7B—C8B—H8C110.4N31—C36—H36A109.2
Cl9B—C8B—H8C110.4C37—C36—H36A109.2
C7B—C8B—H8D110.4N31—C36—H36B109.2
Cl9B—C8B—H8D110.4C37—C36—H36B109.2
H8C—C8B—H8D108.6H36A—C36—H36B107.9
C15—N11—N12110.1 (2)C38—C37—C36115.5 (3)
C15—N11—C16129.1 (3)C38—C37—H37A108.4
N12—N11—C16120.8 (2)C36—C37—H37A108.4
C13—N12—N11103.0 (2)C38—C37—H37B108.4
C15—N14—C13103.2 (2)C36—C37—H37B108.4
C15—N14—Cu1129.33 (19)H37A—C37—H37B107.5
C13—N14—Cu1127.35 (19)C37—C38—Cl39111.0 (2)
N12—C13—N14114.3 (3)C37—C38—H38A109.4
N12—C13—H13122.8Cl39—C38—H38A109.4
N14—C13—H13122.8C37—C38—H38B109.4
N14—C15—N11109.4 (3)Cl39—C38—H38B109.4
N14—C15—H15125.3H38A—C38—H38B108.0
N11—C15—H15125.3B1—F1—Cu1143.8 (2)
N11—C16—C17113.5 (3)F4—B1—F2111.6 (3)
N11—C16—H16A108.9F4—B1—F1110.9 (3)
C17—C16—H16A108.9F2—B1—F1109.0 (3)
N11—C16—H16B108.9F4—B1—F3109.4 (3)
C17—C16—H16B108.9F2—B1—F3108.2 (3)
H16A—C16—H16B107.7F1—B1—F3107.7 (3)
C18—C17—C16111.0 (3)B11—F11—Cu1146.95 (19)
C18—C17—H17A109.4F13—B11—F14111.0 (3)
C16—C17—H17A109.4F13—B11—F12109.3 (3)
C18—C17—H17B109.4F14—B11—F12109.3 (3)
C16—C17—H17B109.4F13—B11—F11110.2 (3)
H17A—C17—H17B108.0F14—B11—F11109.3 (3)
C17—C18—Cl19111.5 (2)F12—B11—F11107.7 (3)
C5—N1—N2—C30.5 (3)N14—Cu1—N24—C2362.0 (2)
C6A—N1—N2—C3177.3 (3)F1—Cu1—N24—C2328.8 (2)
N24—Cu1—N4—C569.4 (3)F11—Cu1—N24—C23147.1 (2)
N34—Cu1—N4—C5107.1 (3)N21—N22—C23—N240.3 (3)
F1—Cu1—N4—C5167.6 (3)C25—N24—C23—N220.1 (3)
F11—Cu1—N4—C518.5 (3)Cu1—N24—C23—N22180.0 (2)
N24—Cu1—N4—C3106.0 (3)N22—N21—C25—N240.7 (3)
N34—Cu1—N4—C377.6 (3)C26—N21—C25—N24178.6 (3)
F1—Cu1—N4—C37.7 (3)C23—N24—C25—N210.4 (3)
F11—Cu1—N4—C3166.2 (3)Cu1—N24—C25—N21179.67 (18)
N1—N2—C3—N40.4 (4)C25—N21—C26—C2794.7 (4)
C5—N4—C3—N20.2 (4)N22—N21—C26—C2786.1 (3)
Cu1—N4—C3—N2176.1 (2)N21—C26—C27—C28169.7 (3)
N2—N1—C5—N40.4 (4)C26—C27—C28—Cl2966.1 (4)
C6A—N1—C5—N4177.1 (3)C35—N31—N32—C330.6 (3)
C3—N4—C5—N10.1 (3)C36—N31—N32—C33178.5 (2)
Cu1—N4—C5—N1176.3 (2)N4—Cu1—N34—C35111.8 (2)
C5—N1—C6A—C7A102.1 (4)N14—Cu1—N34—C3567.7 (2)
N2—N1—C6A—C7A75.2 (4)F1—Cu1—N34—C3523.2 (2)
N1—C6A—C7A—C8A72.4 (5)F11—Cu1—N34—C35152.8 (2)
C6A—C7A—C8A—Cl9A70.9 (5)N4—Cu1—N34—C3373.8 (2)
C15—N11—N12—C130.1 (3)N14—Cu1—N34—C33106.7 (2)
C16—N11—N12—C13179.8 (3)F1—Cu1—N34—C33162.4 (2)
N24—Cu1—N14—C15134.5 (3)F11—Cu1—N34—C3321.6 (2)
N34—Cu1—N14—C1549.0 (3)N31—N32—C33—N341.1 (3)
F1—Cu1—N14—C1536.3 (3)C35—N34—C33—N321.1 (3)
F11—Cu1—N14—C15137.5 (3)Cu1—N34—C33—N32174.50 (19)
N24—Cu1—N14—C1350.7 (3)N32—N31—C35—N340.0 (3)
N34—Cu1—N14—C13125.8 (3)C36—N31—C35—N34177.6 (2)
F1—Cu1—N14—C13148.9 (3)C33—N34—C35—N310.6 (3)
F11—Cu1—N14—C1337.2 (3)Cu1—N34—C35—N31174.77 (18)
N11—N12—C13—N140.6 (4)C35—N31—C36—C3798.7 (3)
C15—N14—C13—N120.9 (4)N32—N31—C36—C3778.7 (3)
Cu1—N14—C13—N12174.9 (2)N31—C36—C37—C3872.2 (4)
C13—N14—C15—N110.8 (3)C36—C37—C38—Cl3967.1 (3)
Cu1—N14—C15—N11174.9 (2)N24—Cu1—F1—B136.2 (3)
N12—N11—C15—N140.5 (4)N4—Cu1—F1—B1125.9 (3)
C16—N11—C15—N14179.2 (3)N34—Cu1—F1—B1143.5 (3)
C15—N11—C16—C1793.2 (4)N14—Cu1—F1—B152.7 (3)
N12—N11—C16—C1787.1 (3)Cu1—F1—B1—F4161.9 (2)
N11—C16—C17—C1875.2 (3)Cu1—F1—B1—F274.9 (4)
C16—C17—C18—Cl19174.2 (2)Cu1—F1—B1—F342.2 (4)
C25—N21—N22—C230.6 (3)N24—Cu1—F11—B11100.5 (4)
C26—N21—N22—C23178.8 (2)N4—Cu1—F11—B1110.8 (4)
N4—Cu1—N24—C2562.4 (3)N34—Cu1—F11—B1179.6 (4)
N14—Cu1—N24—C25118.2 (3)N14—Cu1—F11—B11170.5 (4)
F1—Cu1—N24—C25151.0 (2)Cu1—F11—B11—F13169.1 (2)
F11—Cu1—N24—C2533.0 (3)Cu1—F11—B11—F1446.9 (5)
N4—Cu1—N24—C23117.5 (2)Cu1—F11—B11—F1271.7 (4)
 

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