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In the crystal structure of the title compound, [Cu(ClO4)(C22H17ClN2)(C6H18N4)]ClO4, the CuII ion assumes a distorted octa­hedral coordination geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048720/xu2152sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048720/xu2152Isup2.hkl
Contains datablock I

CCDC reference: 630517

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.056
  • wR factor = 0.165
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.73 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cl2 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl3 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4 N3 -CU1 -N2 -C2 140.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 N3 -CU1 -N2 -C3 -29.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 N2 -CU1 -N3 -C27 125.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 N2 -CU1 -N3 -C23 6.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 N2 -CU1 -N3 -C25 -115.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 35 O1 -CU1 -N5 -C26 22.40 1.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45 N5 -CU1 -O1 -CL2 -113.90 1.40 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

{1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole-κN3}(perchlorato- κO)[tris(2-aminoethyl)amine-κ4N]copper(II) perchlorate top
Crystal data top
[Cu(ClO4)(C22H17ClN2)(C6H18N4)]ClO4F(000) = 1556
Mr = 753.51Dx = 1.564 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 4353 reflections
a = 7.7303 (16) Åθ = 2.3–24.4°
b = 21.938 (5) ŵ = 0.99 mm1
c = 18.932 (4) ÅT = 298 K
β = 94.614 (3)°Block, blue
V = 3200.2 (12) Å30.40 × 0.29 × 0.20 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
5760 independent reflections
Radiation source: fine-focus sealed tube4006 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.037
φ and ω scansθmax = 25.2°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
h = 89
Tmin = 0.692, Tmax = 0.826k = 2226
16722 measured reflectionsl = 2222
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)] = 0.056Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.165H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0787P)2 + 6.2079P]
where P = (Fo2 + 2Fc2)/3
5760 reflections(Δ/σ)max = 0.001
416 parametersΔρmax = 0.98 e Å3
0 restraintsΔρmin = 0.53 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
Cu10.66312 (7)0.64943 (3)0.44893 (3)0.03452 (19)
Cl10.1090 (2)0.61584 (8)0.04761 (7)0.0656 (4)
Cl21.09831 (16)0.57887 (7)0.45550 (7)0.0494 (3)
Cl30.5322 (2)0.82860 (7)0.30508 (8)0.0582 (4)
N10.4154 (4)0.57434 (16)0.26348 (18)0.0292 (8)
N20.5792 (4)0.60009 (17)0.35974 (18)0.0310 (8)
N30.7481 (5)0.69564 (18)0.5428 (2)0.0398 (9)
N40.5886 (5)0.58249 (17)0.51936 (19)0.0341 (9)
H4A0.47460.57460.51070.041*
H4B0.64760.54790.51270.041*
N50.4489 (5)0.70617 (19)0.4509 (2)0.0447 (10)
H5A0.46060.73860.42250.054*
H5B0.35190.68590.43540.054*
N60.8260 (5)0.71009 (18)0.40227 (19)0.0395 (9)
H6A0.91320.68960.38430.047*
H6B0.76630.72990.36650.047*
O10.9139 (4)0.58056 (17)0.4594 (2)0.0520 (9)
O21.1800 (6)0.5913 (3)0.5238 (2)0.0874 (15)
O31.1424 (5)0.6249 (2)0.4065 (2)0.0726 (13)
O41.1524 (8)0.5218 (2)0.4326 (3)0.0999 (19)
O50.4699 (9)0.8665 (3)0.2520 (4)0.129 (2)
O60.6622 (12)0.8478 (4)0.3531 (5)0.197 (4)
O70.5872 (8)0.7732 (3)0.2754 (4)0.120 (2)
O80.3905 (8)0.8108 (3)0.3441 (3)0.115 (2)
C10.2912 (5)0.5780 (2)0.1980 (2)0.0277 (9)
C20.4660 (5)0.6195 (2)0.3085 (2)0.0297 (9)
H20.42640.65950.30420.036*
C30.6045 (6)0.5394 (2)0.3464 (2)0.0370 (11)
H30.67890.51360.37330.044*
C40.5035 (6)0.5232 (2)0.2875 (2)0.0369 (11)
H40.49560.48460.26720.044*
C50.3970 (6)0.5808 (2)0.1325 (2)0.0337 (10)
C60.3252 (7)0.5976 (2)0.0652 (3)0.0430 (12)
C70.4231 (9)0.5990 (3)0.0066 (3)0.0588 (16)
H70.37140.61040.03740.071*
C80.5929 (9)0.5838 (3)0.0136 (3)0.0658 (17)
H80.65810.58480.02560.079*
C90.6684 (8)0.5670 (3)0.0783 (4)0.0686 (18)
H90.78490.55590.08300.082*
C100.5719 (7)0.5665 (3)0.1368 (3)0.0505 (13)
H100.62670.55600.18070.061*
C110.1836 (6)0.6371 (2)0.2043 (2)0.0352 (11)
C120.0130 (7)0.6363 (3)0.2212 (3)0.0505 (14)
H120.04250.59920.22690.061*
C130.0757 (9)0.6903 (4)0.2297 (3)0.071 (2)
H130.19090.68930.24050.085*
C140.0056 (11)0.7450 (4)0.2222 (3)0.076 (2)
H140.05240.78130.22980.091*
C150.1705 (10)0.7461 (3)0.2038 (3)0.0625 (18)
H150.22450.78330.19740.075*
C160.2598 (7)0.6930 (2)0.1942 (2)0.0465 (13)
H160.37290.69470.18080.056*
C170.1765 (6)0.5205 (2)0.1986 (2)0.0343 (10)
C180.1062 (7)0.5043 (3)0.2608 (3)0.0500 (13)
H180.13530.52630.30200.060*
C190.0075 (8)0.4556 (3)0.2619 (4)0.0686 (18)
H190.05480.44510.30390.082*
C200.0508 (9)0.4227 (3)0.2017 (5)0.075 (2)
H200.12880.39040.20210.090*
C210.0212 (9)0.4378 (3)0.1419 (4)0.0678 (18)
H210.00640.41500.10110.081*
C220.1341 (7)0.4858 (2)0.1390 (3)0.0462 (12)
H220.18210.49500.09670.055*
C230.7721 (7)0.6481 (2)0.5979 (2)0.0482 (13)
H23A0.78130.66720.64420.058*
H23B0.87960.62640.59230.058*
C240.6239 (7)0.6033 (2)0.5937 (2)0.0445 (12)
H24A0.65340.56860.62410.053*
H24B0.52110.62250.60980.053*
C250.6136 (8)0.7409 (3)0.5591 (3)0.0596 (16)
H25A0.64860.78090.54380.071*
H25B0.60640.74240.61000.071*
C260.4369 (8)0.7263 (3)0.5238 (3)0.0580 (15)
H26A0.38350.69440.55020.070*
H26B0.36370.76220.52400.070*
C270.9114 (7)0.7254 (3)0.5288 (3)0.0497 (13)
H27A1.00420.69550.53160.060*
H27B0.93960.75620.56460.060*
C280.8978 (8)0.7547 (3)0.4561 (3)0.0559 (15)
H28A0.82270.79020.45610.067*
H28B1.01170.76810.44440.067*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0358 (3)0.0341 (3)0.0328 (3)0.0017 (2)0.0028 (2)0.0010 (2)
Cl10.0650 (10)0.0880 (12)0.0416 (7)0.0178 (8)0.0094 (7)0.0001 (7)
Cl20.0346 (7)0.0640 (9)0.0501 (7)0.0082 (6)0.0053 (5)0.0077 (6)
Cl30.0617 (9)0.0528 (9)0.0590 (9)0.0027 (7)0.0011 (7)0.0035 (7)
N10.0251 (19)0.032 (2)0.0297 (18)0.0020 (15)0.0031 (15)0.0021 (16)
N20.028 (2)0.033 (2)0.0304 (19)0.0015 (16)0.0041 (16)0.0043 (16)
N30.049 (3)0.035 (2)0.035 (2)0.0064 (19)0.0013 (18)0.0068 (17)
N40.031 (2)0.032 (2)0.039 (2)0.0007 (16)0.0006 (16)0.0027 (17)
N50.040 (2)0.039 (2)0.054 (3)0.0031 (19)0.0013 (19)0.000 (2)
N60.042 (2)0.041 (2)0.035 (2)0.0012 (18)0.0004 (17)0.0039 (17)
O10.0308 (19)0.060 (2)0.065 (2)0.0040 (16)0.0004 (17)0.0100 (19)
O20.051 (3)0.139 (5)0.069 (3)0.006 (3)0.015 (2)0.005 (3)
O30.045 (2)0.084 (3)0.091 (3)0.002 (2)0.022 (2)0.033 (3)
O40.140 (5)0.086 (4)0.078 (3)0.065 (3)0.037 (3)0.020 (3)
O50.152 (6)0.111 (5)0.129 (5)0.035 (4)0.040 (4)0.071 (4)
O60.170 (8)0.199 (9)0.207 (9)0.074 (7)0.067 (7)0.024 (7)
O70.107 (4)0.107 (5)0.146 (5)0.044 (4)0.009 (4)0.034 (4)
O80.126 (5)0.134 (5)0.090 (4)0.016 (4)0.031 (3)0.041 (4)
C10.023 (2)0.035 (2)0.025 (2)0.0008 (18)0.0011 (17)0.0025 (18)
C20.028 (2)0.028 (2)0.032 (2)0.0026 (18)0.0008 (18)0.0002 (18)
C30.036 (3)0.032 (3)0.042 (3)0.007 (2)0.005 (2)0.000 (2)
C40.041 (3)0.030 (3)0.039 (2)0.005 (2)0.005 (2)0.006 (2)
C50.034 (3)0.034 (3)0.033 (2)0.004 (2)0.0026 (19)0.0079 (19)
C60.046 (3)0.046 (3)0.037 (3)0.001 (2)0.005 (2)0.000 (2)
C70.082 (5)0.061 (4)0.034 (3)0.006 (3)0.010 (3)0.002 (3)
C80.077 (5)0.063 (4)0.063 (4)0.003 (3)0.040 (4)0.003 (3)
C90.050 (4)0.080 (5)0.080 (5)0.004 (3)0.029 (3)0.002 (4)
C100.040 (3)0.063 (4)0.049 (3)0.004 (3)0.012 (2)0.004 (3)
C110.035 (3)0.046 (3)0.023 (2)0.008 (2)0.0054 (19)0.0031 (19)
C120.044 (3)0.067 (4)0.039 (3)0.016 (3)0.004 (2)0.003 (3)
C130.062 (4)0.106 (6)0.043 (3)0.048 (4)0.007 (3)0.012 (4)
C140.100 (6)0.072 (5)0.051 (4)0.053 (4)0.023 (4)0.017 (3)
C150.091 (5)0.039 (3)0.052 (3)0.017 (3)0.027 (3)0.004 (3)
C160.055 (3)0.044 (3)0.037 (3)0.001 (3)0.013 (2)0.001 (2)
C170.023 (2)0.041 (3)0.038 (2)0.0011 (19)0.0028 (19)0.000 (2)
C180.041 (3)0.060 (4)0.049 (3)0.007 (3)0.000 (2)0.001 (3)
C190.048 (4)0.070 (4)0.089 (5)0.008 (3)0.014 (3)0.022 (4)
C200.053 (4)0.055 (4)0.116 (6)0.021 (3)0.008 (4)0.003 (4)
C210.066 (4)0.058 (4)0.076 (4)0.019 (3)0.019 (4)0.016 (3)
C220.048 (3)0.045 (3)0.045 (3)0.004 (2)0.001 (2)0.009 (2)
C230.058 (3)0.057 (3)0.028 (2)0.009 (3)0.007 (2)0.001 (2)
C240.052 (3)0.048 (3)0.034 (3)0.004 (2)0.007 (2)0.003 (2)
C250.074 (4)0.047 (3)0.057 (3)0.001 (3)0.008 (3)0.021 (3)
C260.057 (4)0.053 (4)0.065 (4)0.012 (3)0.014 (3)0.010 (3)
C270.054 (3)0.050 (3)0.044 (3)0.021 (3)0.003 (2)0.006 (2)
C280.064 (4)0.050 (3)0.054 (3)0.023 (3)0.002 (3)0.001 (3)
Geometric parameters (Å, º) top
Cu1—O12.453 (4)C7—H70.9300
Cu1—N22.066 (3)C8—C91.365 (9)
Cu1—N32.104 (4)C8—H80.9300
Cu1—N42.095 (4)C9—C101.385 (8)
Cu1—N52.075 (4)C9—H90.9300
Cu1—N62.077 (4)C10—H100.9300
Cl1—C61.724 (5)C11—C161.380 (7)
Cl2—O41.400 (5)C11—C121.382 (7)
Cl2—O21.419 (4)C12—C131.384 (8)
Cl2—O31.431 (4)C12—H120.9300
Cl2—O11.434 (4)C13—C141.368 (10)
Cl3—O51.361 (6)C13—H130.9300
Cl3—O61.366 (8)C14—C151.348 (10)
Cl3—O71.419 (5)C14—H140.9300
Cl3—O81.424 (6)C15—C161.373 (8)
N1—C21.345 (5)C15—H150.9300
N1—C41.371 (6)C16—H160.9300
N1—C11.507 (5)C17—C221.378 (7)
N2—C21.323 (5)C17—C181.383 (7)
N2—C31.372 (6)C18—C191.386 (8)
N3—C271.464 (6)C18—H180.9300
N3—C231.477 (6)C19—C201.368 (10)
N3—C251.488 (7)C19—H190.9300
N4—C241.483 (6)C20—C211.343 (10)
N4—H4A0.9000C20—H200.9300
N4—H4B0.9000C21—C221.371 (8)
N5—C261.458 (7)C21—H210.9300
N5—H5A0.9000C22—H220.9300
N5—H5B0.9000C23—C241.506 (7)
N6—C281.488 (6)C23—H23A0.9700
N6—H6A0.9000C23—H23B0.9700
N6—H6B0.9000C24—H24A0.9700
C1—C51.541 (6)C24—H24B0.9700
C1—C171.542 (6)C25—C261.507 (8)
C1—C111.551 (6)C25—H25A0.9700
C2—H20.9300C25—H25B0.9700
C3—C41.356 (6)C26—H26A0.9700
C3—H30.9300C26—H26B0.9700
C4—H40.9300C27—C281.516 (7)
C5—C101.384 (7)C27—H27A0.9700
C5—C61.397 (6)C27—H27B0.9700
C6—C71.392 (7)C28—H28A0.9700
C7—C81.350 (9)C28—H28B0.9700
N2—Cu1—N597.48 (15)C7—C8—C9119.8 (5)
N2—Cu1—N698.58 (15)C7—C8—H8120.1
N5—Cu1—N697.78 (17)C9—C8—H8120.1
N2—Cu1—N493.93 (14)C8—C9—C10120.1 (6)
N5—Cu1—N498.53 (16)C8—C9—H9120.0
N6—Cu1—N4157.93 (15)C10—C9—H9120.0
N2—Cu1—N3177.12 (15)C5—C10—C9122.5 (5)
N5—Cu1—N383.76 (16)C5—C10—H10118.8
N6—Cu1—N383.79 (15)C9—C10—H10118.8
N4—Cu1—N383.31 (15)C16—C11—C12118.0 (5)
N2—Cu1—O186.43 (13)C16—C11—C1119.7 (4)
N5—Cu1—O1174.20 (15)C12—C11—C1122.3 (4)
N6—Cu1—O185.81 (14)C11—C12—C13120.4 (6)
N4—Cu1—O176.87 (13)C11—C12—H12119.8
N3—Cu1—O192.15 (15)C13—C12—H12119.8
O4—Cl2—O2109.4 (3)C14—C13—C12120.2 (6)
O4—Cl2—O3109.8 (3)C14—C13—H13119.9
O2—Cl2—O3110.1 (3)C12—C13—H13119.9
O4—Cl2—O1111.2 (3)C15—C14—C13119.6 (6)
O2—Cl2—O1108.6 (3)C15—C14—H14120.2
O3—Cl2—O1107.7 (2)C13—C14—H14120.2
O5—Cl3—O6120.0 (5)C14—C15—C16121.0 (6)
O5—Cl3—O7109.3 (4)C14—C15—H15119.5
O6—Cl3—O7107.4 (5)C16—C15—H15119.5
O5—Cl3—O8108.0 (4)C15—C16—C11120.7 (6)
O6—Cl3—O8107.2 (6)C15—C16—H16119.7
O7—Cl3—O8103.8 (4)C11—C16—H16119.7
C2—N1—C4106.3 (3)C22—C17—C18118.1 (5)
C2—N1—C1128.1 (4)C22—C17—C1123.0 (4)
C4—N1—C1125.6 (3)C18—C17—C1118.8 (4)
C2—N2—C3105.8 (4)C17—C18—C19120.3 (5)
C2—N2—Cu1125.2 (3)C17—C18—H18119.8
C3—N2—Cu1128.2 (3)C19—C18—H18119.8
C27—N3—C23112.4 (4)C20—C19—C18120.4 (6)
C27—N3—C25111.5 (4)C20—C19—H19119.8
C23—N3—C25112.0 (4)C18—C19—H19119.8
C27—N3—Cu1106.1 (3)C21—C20—C19118.8 (6)
C23—N3—Cu1105.6 (3)C21—C20—H20120.6
C25—N3—Cu1108.7 (3)C19—C20—H20120.6
C24—N4—Cu1110.4 (3)C20—C21—C22122.1 (6)
C24—N4—H4A109.6C20—C21—H21118.9
Cu1—N4—H4A109.6C22—C21—H21118.9
C24—N4—H4B109.6C21—C22—C17120.1 (5)
Cu1—N4—H4B109.6C21—C22—H22119.9
H4A—N4—H4B108.1C17—C22—H22119.9
C26—N5—Cu1108.1 (3)N3—C23—C24111.8 (4)
C26—N5—H5A110.1N3—C23—H23A109.3
Cu1—N5—H5A110.1C24—C23—H23A109.3
C26—N5—H5B110.1N3—C23—H23B109.3
Cu1—N5—H5B110.1C24—C23—H23B109.3
H5A—N5—H5B108.4H23A—C23—H23B107.9
C28—N6—Cu1109.6 (3)N4—C24—C23109.4 (4)
C28—N6—H6A109.7N4—C24—H24A109.8
Cu1—N6—H6A109.7C23—C24—H24A109.8
C28—N6—H6B109.7N4—C24—H24B109.8
Cu1—N6—H6B109.7C23—C24—H24B109.8
H6A—N6—H6B108.2H24A—C24—H24B108.2
Cl2—O1—Cu1142.6 (2)N3—C25—C26112.9 (4)
N1—C1—C5108.7 (3)N3—C25—H25A109.0
N1—C1—C17106.3 (3)C26—C25—H25A109.0
C5—C1—C17112.4 (3)N3—C25—H25B109.0
N1—C1—C11106.9 (3)C26—C25—H25B109.0
C5—C1—C11110.5 (4)H25A—C25—H25B107.8
C17—C1—C11111.8 (4)N5—C26—C25111.1 (5)
N2—C2—N1111.7 (4)N5—C26—H26A109.4
N2—C2—H2124.2C25—C26—H26A109.4
N1—C2—H2124.2N5—C26—H26B109.4
C4—C3—N2109.0 (4)C25—C26—H26B109.4
C4—C3—H3125.5H26A—C26—H26B108.0
N2—C3—H3125.5N3—C27—C28110.8 (4)
C3—C4—N1107.2 (4)N3—C27—H27A109.5
C3—C4—H4126.4C28—C27—H27A109.5
N1—C4—H4126.4N3—C27—H27B109.5
C10—C5—C6115.4 (4)C28—C27—H27B109.5
C10—C5—C1121.5 (4)H27A—C27—H27B108.1
C6—C5—C1123.2 (4)N6—C28—C27109.7 (4)
C7—C6—C5122.0 (5)N6—C28—H28A109.7
C7—C6—Cl1115.0 (4)C27—C28—H28A109.7
C5—C6—Cl1123.0 (4)N6—C28—H28B109.7
C8—C7—C6120.3 (5)C27—C28—H28B109.7
C8—C7—H7119.9H28A—C28—H28B108.2
C6—C7—H7119.9
N5—Cu1—N2—C224.6 (4)C1—N1—C4—C3178.3 (4)
N6—Cu1—N2—C274.5 (4)N1—C1—C5—C1014.6 (6)
N4—Cu1—N2—C2123.7 (4)C17—C1—C5—C10102.7 (5)
N3—Cu1—N2—C2140 (3)C11—C1—C5—C10131.6 (5)
O1—Cu1—N2—C2159.7 (4)N1—C1—C5—C6165.6 (4)
N5—Cu1—N2—C3144.1 (4)C17—C1—C5—C677.0 (5)
N6—Cu1—N2—C3116.8 (4)C11—C1—C5—C648.6 (6)
N4—Cu1—N2—C345.0 (4)C10—C5—C6—C70.8 (7)
N3—Cu1—N2—C329 (3)C1—C5—C6—C7179.0 (5)
O1—Cu1—N2—C331.6 (4)C10—C5—C6—Cl1178.7 (4)
N2—Cu1—N3—C27125 (3)C1—C5—C6—Cl11.1 (7)
N5—Cu1—N3—C27119.3 (3)C5—C6—C7—C80.0 (9)
N6—Cu1—N3—C2720.7 (3)Cl1—C6—C7—C8178.0 (5)
N4—Cu1—N3—C27141.3 (3)C6—C7—C8—C90.1 (9)
O1—Cu1—N3—C2764.8 (3)C7—C8—C9—C101.0 (10)
N2—Cu1—N3—C236 (3)C6—C5—C10—C91.7 (8)
N5—Cu1—N3—C23121.2 (3)C1—C5—C10—C9178.1 (5)
N6—Cu1—N3—C23140.3 (3)C8—C9—C10—C51.9 (10)
N4—Cu1—N3—C2321.8 (3)N1—C1—C11—C1673.7 (5)
O1—Cu1—N3—C2354.7 (3)C5—C1—C11—C1644.4 (5)
N2—Cu1—N3—C25115 (3)C17—C1—C11—C16170.5 (4)
N5—Cu1—N3—C250.8 (3)N1—C1—C11—C12105.0 (5)
N6—Cu1—N3—C2599.3 (4)C5—C1—C11—C12136.9 (4)
N4—Cu1—N3—C2598.6 (3)C17—C1—C11—C1210.8 (6)
O1—Cu1—N3—C25175.1 (3)C16—C11—C12—C131.9 (7)
N2—Cu1—N4—C24177.8 (3)C1—C11—C12—C13176.8 (4)
N5—Cu1—N4—C2479.6 (3)C11—C12—C13—C140.8 (8)
N6—Cu1—N4—C2457.6 (5)C12—C13—C14—C152.6 (9)
N3—Cu1—N4—C243.0 (3)C13—C14—C15—C161.8 (9)
O1—Cu1—N4—C2496.8 (3)C14—C15—C16—C110.9 (8)
N2—Cu1—N5—C26154.6 (4)C12—C11—C16—C152.7 (7)
N6—Cu1—N5—C26105.6 (4)C1—C11—C16—C15176.0 (4)
N4—Cu1—N5—C2659.5 (4)N1—C1—C17—C22136.7 (4)
N3—Cu1—N5—C2622.8 (4)C5—C1—C17—C2217.9 (6)
O1—Cu1—N5—C2622.4 (17)C11—C1—C17—C22107.1 (5)
N2—Cu1—N6—C28176.6 (3)N1—C1—C17—C1846.4 (5)
N5—Cu1—N6—C2877.7 (4)C5—C1—C17—C18165.1 (4)
N4—Cu1—N6—C2859.6 (6)C11—C1—C17—C1869.9 (5)
N3—Cu1—N6—C285.1 (3)C22—C17—C18—C191.8 (8)
O1—Cu1—N6—C2897.7 (3)C1—C17—C18—C19175.3 (5)
O4—Cl2—O1—Cu1150.3 (4)C17—C18—C19—C200.3 (9)
O2—Cl2—O1—Cu189.3 (4)C18—C19—C20—C211.2 (10)
O3—Cl2—O1—Cu129.9 (5)C19—C20—C21—C221.2 (11)
N2—Cu1—O1—Cl2113.5 (4)C20—C21—C22—C170.3 (10)
N5—Cu1—O1—Cl2113.9 (14)C18—C17—C22—C211.8 (8)
N6—Cu1—O1—Cl214.6 (4)C1—C17—C22—C21175.2 (5)
N4—Cu1—O1—Cl2151.6 (4)C27—N3—C23—C24159.2 (4)
N3—Cu1—O1—Cl269.0 (4)C25—N3—C23—C2474.2 (5)
C2—N1—C1—C5100.6 (5)Cu1—N3—C23—C2444.0 (5)
C4—N1—C1—C577.4 (5)Cu1—N4—C24—C2327.2 (5)
C2—N1—C1—C17138.2 (4)N3—C23—C24—N448.6 (6)
C4—N1—C1—C1743.8 (5)C27—N3—C25—C26137.9 (5)
C2—N1—C1—C1118.7 (6)C23—N3—C25—C2695.0 (6)
C4—N1—C1—C11163.3 (4)Cu1—N3—C25—C2621.3 (6)
C3—N2—C2—N10.9 (5)Cu1—N5—C26—C2540.7 (5)
Cu1—N2—C2—N1169.9 (3)N3—C25—C26—N542.2 (7)
C4—N1—C2—N20.5 (5)C23—N3—C27—C28158.1 (4)
C1—N1—C2—N2178.8 (4)C25—N3—C27—C2875.1 (5)
C2—N2—C3—C40.8 (5)Cu1—N3—C27—C2843.2 (5)
Cu1—N2—C3—C4169.6 (3)Cu1—N6—C28—C2729.5 (5)
N2—C3—C4—N10.5 (5)N3—C27—C28—N649.7 (6)
C2—N1—C4—C30.0 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4—H4A···O2i0.902.343.172 (6)154
N4—H4B···O4ii0.902.353.127 (7)144
N5—H5A···O80.902.213.068 (7)160
N5—H5B···O3i0.902.143.030 (6)171
N6—H6A···O30.902.283.074 (6)147
N6—H6B···O70.902.333.222 (8)174
Symmetry codes: (i) x1, y, z; (ii) x+2, y+1, z+1.
 

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