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The title compound, [Cu2Cl2(C15H11N3)2](ClO4)2, crystallized from water as the triclinic polymorph. There are two independent centrosymmetric binuclear dications, [Cu2(ter­pyridine)2Cl2]2+, and four perchlorate anions per unit cell. Each Cu atom has a distorted square-pyramidal geometry. In the crystal structure, the cations are bridged by the perchlorate anions via C—H...O hydrogen bonds, thereby forming a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804000443/fl6078sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804000443/fl6078Isup2.hkl
Contains datablock I

CCDC reference: 234832

Key indicators

  • Single-crystal X-ray study
  • T = 153 K
  • Mean [sigma](C-C) = 0.015 Å
  • R factor = 0.068
  • wR factor = 0.185
  • Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
Author Response: ...With the Stoe Image Plate diffraction System Mark I it is only possible to access a maximum of ca. 93% of the Ewald sphere in the triclinic system, if maximum atomic resolution, 0.81 \%A, is to be obtained. Here Theta max. was 25.96\%.

Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75 Tmin and Tmax reported: 0.250 0.917 Tmin' and Tmax expected: 0.420 0.917 RR' = 0.595 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.59
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.96 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 5819 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 6260 Completeness (_total/calc) 92.96% RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.100 PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.93 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 Perc. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Cl10 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Cl20 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 CL1 -CU1 -N2 -C6 -79.00 11.00 2.776 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 CL1 -CU1 -N2 -C10 103.00 11.00 2.776 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73 N22 -CU2 -CL2 -CU2 -179.00100.00 1.555 1.555 1.555 2.665 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 87 CL2 -CU2 -N22 -C30 -95.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 91 CL2 -CU2 -N22 -C26 84.00 12.00 1.555 1.555 1.555 1.555
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: EXPOSE (Stoe & Cie, 2000); cell refinement: CELL (Stoe & Cie, 2000); data reduction: INTEGRATE (Stoe & Cie, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON99 (Spek, 1990); software used to prepare material for publication: SHELXL97.

Di-µ-chloro-bis[(2,2':6,2"-terpyridine-κ3N)copper(II)] diperchlorate top
Crystal data top
[Cu2Cl2(C15H11N3)2](ClO4)2Z = 2
Mr = 863.42F(000) = 868
Triclinic, P1Dx = 1.796 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.9905 (8) ÅCell parameters from 6421 reflections
b = 9.8696 (11) Åθ = 2.2–25.8°
c = 23.782 (2) ŵ = 1.73 mm1
α = 91.431 (13)°T = 153 K
β = 93.524 (13)°Needle, pale_blue
γ = 102.678 (14)°0.50 × 0.05 × 0.05 mm
V = 1596.6 (3) Å3
Data collection top
Stoe IPDS
diffractometer
5819 independent reflections
Radiation source: fine-focus sealed tube2512 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.100
Detector resolution: 0.81Å pixels mm-1θmax = 26.0°, θmin = 2.1°
φ oscillation scansh = 88
Absorption correction: part of the refinement model (ΔF)
(DIFABS in PLATON; Spek, 1990)
k = 1212
Tmin = 0.250, Tmax = 0.917l = 2929
12643 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)] = 0.068Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.185H-atom parameters constrained
S = 0.97 w = 1/[σ2(Fo2) + (0.0663P)2]
where P = (Fo2 + 2Fc2)/3
5819 reflections(Δ/σ)max < 0.001
451 parametersΔρmax = 0.65 e Å3
0 restraintsΔρmin = 0.70 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
Cu10.97707 (17)0.86803 (13)0.44552 (5)0.0361 (3)
Cl10.8358 (4)1.0976 (3)0.47442 (10)0.0380 (6)
N11.1757 (12)0.9567 (8)0.3908 (3)0.035 (2)
N20.8173 (12)0.8343 (8)0.3752 (4)0.036 (2)
N30.7314 (11)0.7503 (8)0.4741 (4)0.037 (2)
C11.3672 (15)1.0212 (10)0.4023 (5)0.039 (3)
H1A1.42291.02190.43980.047*
C21.4814 (15)1.0839 (10)0.3628 (5)0.041 (3)
H2A1.61431.12900.37270.049*
C31.4060 (15)1.0826 (11)0.3084 (5)0.040 (3)
H3A1.48701.12590.28030.048*
C41.2141 (16)1.0193 (11)0.2942 (5)0.044 (3)
H4A1.16041.01920.25650.053*
C51.0978 (14)0.9545 (10)0.3361 (4)0.035 (2)
C60.8912 (14)0.8826 (9)0.3277 (4)0.035 (2)
C70.7778 (15)0.8609 (11)0.2773 (4)0.043 (3)
H7A0.83070.89340.24300.052*
C80.5824 (16)0.7895 (11)0.2787 (5)0.048 (3)
H8A0.49880.77680.24510.057*
C90.5100 (15)0.7379 (11)0.3273 (4)0.045 (3)
H9A0.37920.68450.32740.054*
C100.6299 (16)0.7643 (10)0.3767 (5)0.044 (3)
C110.5742 (16)0.7194 (10)0.4334 (4)0.040 (3)
C120.3909 (16)0.6603 (9)0.4475 (5)0.042 (3)
H12A0.28640.64060.41900.051*
C130.3525 (18)0.6282 (11)0.5017 (5)0.049 (3)
H13A0.22240.59210.51200.059*
C140.5111 (18)0.6504 (11)0.5411 (5)0.051 (3)
H14A0.49190.62290.57870.061*
C150.6957 (16)0.7119 (10)0.5264 (4)0.040 (3)
H15A0.80180.72760.55450.048*
Cu20.49588 (17)0.37471 (13)0.05317 (5)0.0341 (3)
Cl20.6445 (3)0.3942 (3)0.02731 (10)0.0367 (6)
N210.7200 (11)0.4704 (8)0.1078 (3)0.0329 (19)
N220.3683 (11)0.3544 (8)0.1238 (3)0.0310 (18)
N230.2343 (12)0.2518 (8)0.0244 (4)0.038 (2)
C210.9068 (14)0.5336 (10)0.0950 (4)0.038 (2)
H21A0.94340.52770.05730.046*
C221.0425 (14)0.6059 (10)0.1361 (4)0.038 (2)
H22A1.17160.64740.12650.045*
C230.9930 (14)0.6179 (10)0.1901 (4)0.041 (3)
H23A1.08430.67090.21790.049*
C240.8081 (14)0.5518 (11)0.2037 (4)0.038 (2)
H24A0.77170.55550.24150.046*
C250.6763 (14)0.4803 (10)0.1621 (4)0.035 (2)
C260.4722 (14)0.4097 (10)0.1715 (4)0.032 (2)
C270.3854 (15)0.3956 (11)0.2222 (4)0.042 (3)
H27A0.45650.43260.25660.050*
C280.1875 (14)0.3241 (10)0.2211 (4)0.038 (2)
H28A0.12170.31550.25510.046*
C290.0898 (15)0.2677 (10)0.1724 (4)0.042 (3)
H29A0.04290.21760.17220.050*
C300.1844 (14)0.2835 (10)0.1224 (4)0.036 (2)
C310.0941 (15)0.2304 (10)0.0647 (4)0.037 (2)
C320.0865 (16)0.1705 (10)0.0515 (5)0.041 (3)
H32A0.17600.15660.08040.049*
C330.1554 (17)0.1258 (11)0.0028 (5)0.048 (3)
H33A0.29080.08740.01220.057*
C340.0156 (15)0.1398 (11)0.0436 (5)0.044 (3)
H34A0.05170.10450.08120.053*
C350.1755 (13)0.2062 (9)0.0274 (4)0.029 (2)
H35A0.26920.21950.05520.035*
Cl100.9262 (4)0.4730 (3)0.35570 (11)0.0504 (7)
O111.0406 (11)0.5774 (10)0.3218 (3)0.074 (3)
O120.9430 (12)0.5248 (11)0.4128 (3)0.080 (3)
O131.002 (2)0.3543 (13)0.3544 (5)0.133 (5)
O140.7269 (11)0.4450 (10)0.3349 (4)0.078 (3)
Cl200.5037 (4)0.0020 (3)0.14758 (11)0.0441 (7)
O210.4745 (10)0.0541 (8)0.0929 (3)0.056 (2)
O220.6068 (11)0.1136 (9)0.1853 (3)0.060 (2)
O230.3236 (11)0.0567 (10)0.1695 (4)0.074 (3)
O240.6249 (16)0.0966 (11)0.1436 (4)0.091 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0360 (7)0.0374 (7)0.0337 (7)0.0052 (6)0.0034 (5)0.0004 (6)
Cl10.0413 (14)0.0412 (15)0.0325 (14)0.0120 (11)0.0004 (10)0.0023 (12)
N10.041 (5)0.036 (5)0.030 (5)0.012 (4)0.002 (4)0.007 (4)
N20.040 (5)0.025 (4)0.040 (5)0.002 (4)0.005 (4)0.000 (4)
N30.040 (5)0.023 (4)0.046 (6)0.000 (4)0.010 (4)0.006 (4)
C10.039 (6)0.030 (6)0.050 (7)0.011 (5)0.006 (5)0.010 (5)
C20.034 (6)0.036 (6)0.054 (7)0.009 (5)0.011 (5)0.001 (6)
C30.041 (7)0.037 (6)0.044 (7)0.009 (5)0.015 (5)0.005 (5)
C40.057 (7)0.042 (6)0.037 (6)0.015 (5)0.007 (5)0.009 (6)
C50.035 (6)0.040 (6)0.031 (6)0.012 (5)0.004 (4)0.003 (5)
C60.046 (6)0.022 (5)0.036 (6)0.010 (4)0.001 (5)0.007 (5)
C70.051 (7)0.045 (7)0.035 (6)0.015 (5)0.003 (5)0.006 (5)
C80.047 (7)0.049 (7)0.044 (7)0.006 (5)0.003 (5)0.001 (6)
C90.042 (6)0.050 (7)0.040 (7)0.006 (5)0.015 (5)0.019 (6)
C100.051 (7)0.027 (6)0.057 (7)0.013 (5)0.005 (5)0.005 (6)
C110.057 (7)0.024 (5)0.036 (6)0.008 (5)0.001 (5)0.006 (5)
C120.051 (7)0.018 (5)0.052 (7)0.004 (5)0.001 (5)0.004 (5)
C130.056 (8)0.032 (6)0.065 (8)0.012 (5)0.033 (7)0.011 (6)
C140.061 (8)0.043 (7)0.053 (7)0.017 (6)0.023 (6)0.005 (6)
C150.056 (7)0.039 (6)0.029 (6)0.018 (5)0.006 (5)0.001 (5)
Cu20.0325 (7)0.0359 (7)0.0324 (7)0.0041 (5)0.0026 (5)0.0005 (6)
Cl20.0351 (14)0.0425 (14)0.0339 (14)0.0112 (11)0.0054 (10)0.0005 (12)
N210.031 (5)0.039 (5)0.029 (5)0.009 (4)0.004 (3)0.005 (4)
N220.033 (5)0.026 (4)0.035 (5)0.008 (4)0.004 (4)0.009 (4)
N230.040 (5)0.023 (4)0.051 (6)0.009 (4)0.005 (4)0.004 (4)
C210.040 (6)0.032 (6)0.045 (6)0.013 (5)0.004 (5)0.002 (5)
C220.037 (6)0.035 (6)0.040 (6)0.006 (5)0.001 (5)0.010 (5)
C230.034 (6)0.036 (6)0.047 (7)0.001 (5)0.002 (5)0.003 (5)
C240.036 (6)0.050 (7)0.030 (5)0.009 (5)0.011 (4)0.005 (5)
C250.034 (6)0.034 (6)0.036 (6)0.008 (4)0.000 (4)0.003 (5)
C260.038 (6)0.029 (5)0.030 (6)0.010 (4)0.003 (4)0.001 (5)
C270.045 (7)0.042 (6)0.038 (6)0.007 (5)0.004 (5)0.004 (5)
C280.043 (6)0.035 (6)0.037 (6)0.009 (5)0.014 (5)0.002 (5)
C290.045 (6)0.038 (6)0.040 (6)0.001 (5)0.013 (5)0.008 (5)
C300.028 (6)0.032 (6)0.051 (7)0.009 (4)0.006 (5)0.001 (5)
C310.044 (7)0.034 (6)0.037 (6)0.014 (5)0.009 (5)0.012 (5)
C320.043 (7)0.031 (6)0.049 (7)0.004 (5)0.008 (5)0.001 (5)
C330.050 (7)0.034 (6)0.060 (8)0.013 (5)0.010 (6)0.003 (6)
C340.042 (7)0.036 (6)0.053 (7)0.011 (5)0.006 (5)0.010 (6)
C350.037 (6)0.026 (5)0.023 (5)0.007 (4)0.007 (4)0.005 (4)
Cl100.0436 (16)0.068 (2)0.0391 (15)0.0089 (14)0.0048 (12)0.0082 (15)
O110.048 (5)0.109 (7)0.049 (5)0.019 (5)0.001 (4)0.017 (5)
O120.063 (6)0.119 (8)0.046 (5)0.005 (5)0.009 (4)0.006 (5)
O130.203 (14)0.135 (11)0.106 (9)0.118 (11)0.050 (9)0.037 (8)
O140.037 (5)0.116 (8)0.064 (6)0.016 (5)0.008 (4)0.030 (6)
Cl200.0389 (15)0.0543 (17)0.0359 (15)0.0036 (12)0.0034 (11)0.0012 (14)
O210.049 (5)0.063 (5)0.046 (5)0.006 (4)0.017 (4)0.011 (4)
O220.059 (5)0.070 (6)0.036 (4)0.015 (4)0.008 (4)0.006 (4)
O230.042 (5)0.103 (7)0.063 (6)0.016 (5)0.013 (4)0.010 (5)
O240.137 (9)0.102 (8)0.059 (6)0.080 (7)0.017 (6)0.012 (6)
Geometric parameters (Å, º) top
Cu1—N21.932 (8)Cu2—Cl2ii2.743 (3)
Cu1—N32.017 (8)Cl2—Cu2ii2.743 (3)
Cu1—N12.033 (8)N21—C251.350 (12)
Cu1—Cl1i2.218 (3)N21—C211.374 (12)
Cu1—Cl12.751 (3)N22—C301.320 (12)
Cl1—Cu1i2.218 (3)N22—C261.345 (11)
N1—C11.358 (12)N23—C351.311 (11)
N1—C51.378 (12)N23—C311.400 (12)
N2—C61.327 (12)C21—C221.385 (13)
N2—C101.343 (13)C21—H21A0.9500
N3—C151.332 (12)C22—C231.360 (14)
N3—C111.395 (13)C22—H22A0.9500
C1—C21.345 (14)C23—C241.376 (13)
C1—H1A0.9500C23—H23A0.9500
C2—C31.365 (14)C24—C251.377 (13)
C2—H2A0.9500C24—H24A0.9500
C3—C41.368 (14)C25—C261.477 (13)
C3—H3A0.9500C26—C271.380 (13)
C4—C51.401 (14)C27—C281.406 (14)
C4—H4A0.9500C27—H27A0.9500
C5—C61.462 (13)C28—C291.350 (13)
C6—C71.381 (14)C28—H28A0.9500
C7—C81.396 (15)C29—C301.392 (13)
C7—H7A0.9500C29—H29A0.9500
C8—C91.356 (15)C30—C311.506 (14)
C8—H8A0.9500C31—C321.287 (14)
C9—C101.386 (14)C32—C331.377 (15)
C9—H9A0.9500C32—H32A0.9500
C10—C111.478 (15)C33—C341.408 (15)
C11—C121.352 (15)C33—H33A0.9500
C12—C131.364 (15)C34—C351.379 (13)
C12—H12A0.9500C34—H34A0.9500
C13—C141.381 (16)C35—H35A0.9500
C13—H13A0.9500Cl10—O131.388 (11)
C14—C151.370 (15)Cl10—O141.415 (8)
C14—H14A0.9500Cl10—O121.428 (8)
C15—H15A0.9500Cl10—O111.453 (9)
Cu2—N221.944 (8)Cl20—O231.403 (8)
Cu2—N212.018 (8)Cl20—O211.429 (8)
Cu2—N232.028 (8)Cl20—O241.429 (9)
Cu2—Cl22.226 (3)Cl20—O221.435 (7)
N2—Cu1—N381.3 (4)N22—Cu2—Cl2ii92.6 (2)
N2—Cu1—N179.3 (3)N21—Cu2—Cl2ii97.1 (2)
N3—Cu1—N1159.9 (3)N23—Cu2—Cl2ii89.9 (2)
N2—Cu1—Cl1i178.5 (2)Cl2—Cu2—Cl2ii88.56 (9)
N3—Cu1—Cl1i98.9 (3)Cu2—Cl2—Cu2ii91.44 (9)
N1—Cu1—Cl1i100.3 (2)C25—N21—C21117.2 (8)
N2—Cu1—Cl192.9 (2)C25—N21—Cu2115.8 (6)
N3—Cu1—Cl187.7 (2)C21—N21—Cu2126.9 (6)
N1—Cu1—Cl198.9 (2)C30—N22—C26123.4 (9)
Cl1i—Cu1—Cl188.55 (9)C30—N22—Cu2117.8 (7)
Cu1i—Cl1—Cu191.45 (9)C26—N22—Cu2118.8 (6)
C1—N1—C5118.0 (9)C35—N23—C31117.4 (9)
C1—N1—Cu1128.2 (7)C35—N23—Cu2128.4 (7)
C5—N1—Cu1113.7 (6)C31—N23—Cu2113.6 (7)
C6—N2—C10121.9 (9)N21—C21—C22121.0 (9)
C6—N2—Cu1120.3 (7)N21—C21—H21A119.5
C10—N2—Cu1117.8 (8)C22—C21—H21A119.5
C15—N3—C11117.3 (9)C23—C22—C21120.7 (9)
C15—N3—Cu1129.0 (7)C23—C22—H22A119.6
C11—N3—Cu1113.2 (7)C21—C22—H22A119.6
C2—C1—N1122.7 (10)C22—C23—C24118.7 (9)
C2—C1—H1A118.6C22—C23—H23A120.6
N1—C1—H1A118.6C24—C23—H23A120.6
C1—C2—C3119.8 (10)C23—C24—C25119.3 (9)
C1—C2—H2A120.1C23—C24—H24A120.3
C3—C2—H2A120.1C25—C24—H24A120.3
C2—C3—C4120.2 (10)N21—C25—C24123.0 (9)
C2—C3—H3A119.9N21—C25—C26113.1 (8)
C4—C3—H3A119.9C24—C25—C26123.9 (9)
C3—C4—C5119.0 (10)N22—C26—C27119.8 (9)
C3—C4—H4A120.5N22—C26—C25112.9 (8)
C5—C4—H4A120.5C27—C26—C25127.3 (9)
N1—C5—C4120.2 (9)C26—C27—C28117.4 (9)
N1—C5—C6114.1 (9)C26—C27—H27A121.3
C4—C5—C6125.7 (9)C28—C27—H27A121.3
N2—C6—C7120.9 (10)C29—C28—C27120.8 (10)
N2—C6—C5112.5 (9)C29—C28—H28A119.6
C7—C6—C5126.6 (10)C27—C28—H28A119.6
C6—C7—C8117.4 (11)C28—C29—C30119.6 (10)
C6—C7—H7A121.3C28—C29—H29A120.2
C8—C7—H7A121.3C30—C29—H29A120.2
C9—C8—C7121.1 (11)N22—C30—C29118.9 (9)
C9—C8—H8A119.5N22—C30—C31115.2 (9)
C7—C8—H8A119.5C29—C30—C31125.9 (9)
C8—C9—C10118.9 (11)C32—C31—N23121.6 (10)
C8—C9—H9A120.6C32—C31—C30127.0 (10)
C10—C9—H9A120.6N23—C31—C30111.4 (9)
N2—C10—C9119.7 (11)C31—C32—C33122.7 (11)
N2—C10—C11114.1 (10)C31—C32—H32A118.7
C9—C10—C11126.2 (10)C33—C32—H32A118.7
C12—C11—N3121.0 (10)C32—C33—C34116.8 (10)
C12—C11—C10125.9 (10)C32—C33—H33A121.6
N3—C11—C10113.0 (9)C34—C33—H33A121.6
C11—C12—C13121.6 (11)C35—C34—C33118.0 (10)
C11—C12—H12A119.2C35—C34—H34A121.0
C13—C12—H12A119.2C33—C34—H34A121.0
C12—C13—C14117.1 (11)N23—C35—C34123.3 (9)
C12—C13—H13A121.5N23—C35—H35A118.3
C14—C13—H13A121.5C34—C35—H35A118.3
C15—C14—C13120.6 (11)O13—Cl10—O14111.8 (8)
C15—C14—H14A119.7O13—Cl10—O12108.0 (7)
C13—C14—H14A119.7O14—Cl10—O12109.6 (5)
N3—C15—C14122.2 (10)O13—Cl10—O11109.3 (7)
N3—C15—H15A118.9O14—Cl10—O11109.1 (5)
C14—C15—H15A118.9O12—Cl10—O11109.0 (6)
N22—Cu2—N2179.3 (3)O23—Cl20—O21111.1 (5)
N22—Cu2—N2381.2 (3)O23—Cl20—O24111.5 (7)
N21—Cu2—N23159.6 (3)O21—Cl20—O24108.7 (5)
N22—Cu2—Cl2178.8 (2)O23—Cl20—O22108.4 (5)
N21—Cu2—Cl2100.5 (2)O21—Cl20—O22109.5 (5)
N23—Cu2—Cl298.9 (2)O24—Cl20—O22107.4 (6)
N2—Cu1—Cl1—Cu1i179.9 (3)N22—Cu2—Cl2—Cu2ii179 (100)
N3—Cu1—Cl1—Cu1i98.9 (3)N21—Cu2—Cl2—Cu2ii97.0 (2)
N1—Cu1—Cl1—Cu1i100.2 (2)N23—Cu2—Cl2—Cu2ii89.6 (2)
Cl1i—Cu1—Cl1—Cu1i0.0Cl2ii—Cu2—Cl2—Cu2ii0.0
N2—Cu1—N1—C1180.0 (8)N22—Cu2—N21—C253.0 (7)
N3—Cu1—N1—C1163.6 (9)N23—Cu2—N21—C2520.8 (13)
Cl1i—Cu1—N1—C11.5 (8)Cl2—Cu2—N21—C25178.2 (6)
Cl1—Cu1—N1—C188.7 (8)Cl2ii—Cu2—N21—C2588.3 (7)
N2—Cu1—N1—C53.2 (6)N22—Cu2—N21—C21178.5 (8)
N3—Cu1—N1—C519.6 (13)N23—Cu2—N21—C21163.7 (8)
Cl1i—Cu1—N1—C5178.3 (6)Cl2—Cu2—N21—C212.7 (8)
Cl1—Cu1—N1—C588.2 (6)Cl2ii—Cu2—N21—C2187.2 (8)
N3—Cu1—N2—C6177.3 (7)N21—Cu2—N22—C30176.8 (7)
N1—Cu1—N2—C63.0 (7)N23—Cu2—N22—C303.0 (7)
Cl1i—Cu1—N2—C679 (11)Cl2—Cu2—N22—C3095 (12)
Cl1—Cu1—N2—C695.5 (7)Cl2ii—Cu2—N22—C3086.5 (7)
N3—Cu1—N2—C104.4 (7)N21—Cu2—N22—C261.6 (7)
N1—Cu1—N2—C10178.7 (8)N23—Cu2—N22—C26175.4 (7)
Cl1i—Cu1—N2—C10103 (11)Cl2—Cu2—N22—C2684 (12)
Cl1—Cu1—N2—C1082.8 (7)Cl2ii—Cu2—N22—C2695.2 (7)
N2—Cu1—N3—C15179.0 (8)N22—Cu2—N23—C35178.4 (8)
N1—Cu1—N3—C15164.6 (8)N21—Cu2—N23—C35163.9 (8)
Cl1i—Cu1—N3—C152.5 (8)Cl2—Cu2—N23—C352.8 (8)
Cl1—Cu1—N3—C1585.7 (8)Cl2ii—Cu2—N23—C3585.7 (8)
N2—Cu1—N3—C116.5 (6)N22—Cu2—N23—C317.5 (6)
N1—Cu1—N3—C1122.9 (13)N21—Cu2—N23—C3125.2 (13)
Cl1i—Cu1—N3—C11174.9 (6)Cl2—Cu2—N23—C31173.7 (6)
Cl1—Cu1—N3—C1186.8 (6)Cl2ii—Cu2—N23—C3185.2 (6)
C5—N1—C1—C21.0 (14)C25—N21—C21—C220.9 (14)
Cu1—N1—C1—C2175.7 (7)Cu2—N21—C21—C22174.5 (7)
N1—C1—C2—C30.9 (15)N21—C21—C22—C231.1 (15)
C1—C2—C3—C40.8 (15)C21—C22—C23—C242.8 (16)
C2—C3—C4—C50.8 (15)C22—C23—C24—C252.6 (16)
C1—N1—C5—C41.0 (13)C21—N21—C25—C241.1 (14)
Cu1—N1—C5—C4176.1 (7)Cu2—N21—C25—C24174.8 (8)
C1—N1—C5—C6179.8 (8)C21—N21—C25—C26179.7 (8)
Cu1—N1—C5—C63.0 (10)Cu2—N21—C25—C263.8 (11)
C3—C4—C5—N11.0 (15)C23—C24—C25—N210.6 (16)
C3—C4—C5—C6180.0 (9)C23—C24—C25—C26177.9 (10)
C10—N2—C6—C70.8 (14)C30—N22—C26—C271.2 (14)
Cu1—N2—C6—C7179.1 (7)Cu2—N22—C26—C27179.4 (7)
C10—N2—C6—C5179.6 (8)C30—N22—C26—C25178.2 (8)
Cu1—N2—C6—C52.1 (10)Cu2—N22—C26—C250.0 (11)
N1—C5—C6—N20.8 (12)N21—C25—C26—N222.5 (12)
C4—C5—C6—N2178.3 (9)C24—C25—C26—N22176.1 (9)
N1—C5—C6—C7178.0 (9)N21—C25—C26—C27176.9 (9)
C4—C5—C6—C73.0 (16)C24—C25—C26—C274.5 (17)
N2—C6—C7—C81.5 (14)N22—C26—C27—C280.9 (14)
C5—C6—C7—C8179.9 (9)C25—C26—C27—C28179.8 (9)
C6—C7—C8—C93.0 (16)C26—C27—C28—C292.3 (15)
C7—C8—C9—C103.9 (16)C27—C28—C29—C301.7 (16)
C6—N2—C10—C91.7 (14)C26—N22—C30—C291.9 (15)
Cu1—N2—C10—C9180.0 (7)Cu2—N22—C30—C29179.9 (7)
C6—N2—C10—C11179.7 (8)C26—N22—C30—C31179.9 (8)
Cu1—N2—C10—C111.4 (11)Cu2—N22—C30—C311.8 (11)
C8—C9—C10—N23.1 (15)C28—C29—C30—N220.4 (15)
C8—C9—C10—C11178.4 (9)C28—C29—C30—C31178.2 (9)
C15—N3—C11—C123.7 (13)C35—N23—C31—C321.2 (14)
Cu1—N3—C11—C12169.7 (7)Cu2—N23—C31—C32170.8 (8)
C15—N3—C11—C10179.1 (8)C35—N23—C31—C30178.0 (8)
Cu1—N3—C11—C107.5 (10)Cu2—N23—C31—C3010.1 (10)
N2—C10—C11—C12172.8 (9)N22—C30—C31—C32172.9 (10)
C9—C10—C11—C128.7 (16)C29—C30—C31—C325.0 (17)
N2—C10—C11—N34.2 (12)N22—C30—C31—N237.9 (12)
C9—C10—C11—N3174.3 (9)C29—C30—C31—N23174.2 (9)
N3—C11—C12—C130.1 (15)N23—C31—C32—C331.2 (16)
C10—C11—C12—C13176.9 (9)C30—C31—C32—C33179.8 (10)
C11—C12—C13—C144.1 (15)C31—C32—C33—C344.2 (16)
C12—C13—C14—C154.7 (15)C32—C33—C34—C354.8 (15)
C11—N3—C15—C143.1 (14)C31—N23—C35—C340.3 (14)
Cu1—N3—C15—C14169.1 (7)Cu2—N23—C35—C34170.3 (7)
C13—C14—C15—N31.2 (16)C33—C34—C35—N232.7 (15)
Symmetry codes: (i) x+2, y+2, z+1; (ii) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3A···O22iii0.952.473.316 (14)149
C4—H4A···O23iii0.952.593.219 (15)124
C9—H9A···O11iv0.952.373.309 (14)172
C12—H12A···O12iv0.952.423.172 (14)137
C13—H13A···O12v0.952.373.160 (15)140
C22—H22A···Cl2vi0.952.823.490 (10)129
C24—H24A···O110.952.573.133 (12)118
C24—H24A···O140.952.513.360 (14)149
C27—H27A···O140.952.553.429 (13)153
C29—H29A···O22iv0.952.483.421 (13)170
C32—H32A···O21iv0.952.473.254 (13)140
C33—H33A···O21vii0.952.463.194 (14)134
Symmetry codes: (iii) x+1, y+1, z; (iv) x1, y, z; (v) x+1, y+1, z+1; (vi) x+2, y+1, z; (vii) x, y, z.
 

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