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The title compound, [Cu(C22H16N2)2]ClO4·CH2Cl2, was isolated from the reaction between [Cu(PPh3)2(CH3CN)2]ClO4 and Pt(Ph-CNN)Cl [Ph-CNN is 2-(4,6-diphenyl-2-pyridyl)pyridine] in dichloro­methane. The Cu atom adopts a distorted tetrahedral geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804032064/sj6036sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804032064/sj6036Isup2.hkl
Contains datablock I

CCDC reference: 262260

Key indicators

  • Single-crystal X-ray study
  • T = 130 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in solvent or counterion
  • R factor = 0.055
  • wR factor = 0.116
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 5 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 43.40 Deg. O1' -CL1 -O1 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 31.80 Deg. O4 -CL1 -O4' 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C44 H32 Cu N4 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 Cl O4 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 C H2 Cl2
0 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 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 0 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: CrystalClear (Rigaku/MSC, 2004); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Siemens 1994); software used to prepare material for publication: SHELXL97.

Bis[2-(4,6-diphenyl-2-pyridyl)pyridine-κ2N,N]copper(I) perchlorate dichloromethane solvate top
Crystal data top
[Cu(C22H16N2)2]ClO4·CH2Cl2Z = 2
Mr = 864.65F(000) = 888
Triclinic, P_1Dx = 1.480 Mg m3
a = 11.035 (4) ÅMo Kα radiation, λ = 0.7107 Å
b = 14.368 (6) ÅCell parameters from 3935 reflections
c = 14.637 (6) Åθ = 3.0–27.5°
α = 114.257 (2)°µ = 0.82 mm1
β = 101.688 (2)°T = 130 K
γ = 103.272 (3)°Prism, red
V = 1940.6 (13) Å30.55 × 0.20 × 0.10 mm
Data collection top
CCD
diffractometer
8780 independent reflections
Radiation source: Rotating Anode6621 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
Detector resolution: 14.6306 pixels mm-1θmax = 27.5°, θmin = 3.0°
CCD_Profile_fitting scansh = 147
Absorption correction: multi-scan
(SADABS, Sheldrick, 1996)
k = 1818
Tmin = 0.825, Tmax = 0.921l = 1819
15105 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)] = 0.055Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.116H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0307P)2 + 2.7696P]
where P = (Fo2 + 2Fc2)/3
8780 reflections(Δ/σ)max = 0.001
550 parametersΔρmax = 0.74 e Å3
14 restraintsΔρmin = 0.47 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*/UeqOcc. (<1)
Cu11.24777 (4)0.24179 (3)0.74626 (3)0.02260 (10)
Cl10.74078 (9)0.17148 (7)1.67943 (7)0.0369 (2)
Cl011.22786 (10)0.42894 (7)1.14815 (8)0.0436 (2)
Cl021.23375 (10)0.62259 (8)0.96735 (7)0.0411 (2)
O10.6191 (4)0.0866 (4)1.7429 (4)0.0768 (15)0.75
O20.8380 (6)0.1228 (5)1.7068 (6)0.126 (3)0.75
O30.7705 (9)0.2051 (5)1.5716 (3)0.116 (3)0.75
O40.7594 (7)0.2597 (4)1.7001 (5)0.0704 (18)0.75
O1'0.696 (2)0.0575 (4)1.7353 (16)0.122 (8)0.25
O2'0.8573 (12)0.2224 (18)1.5922 (10)0.126 (9)0.25
O3'0.6387 (10)0.2016 (10)1.6396 (10)0.065 (4)0.25
O4'0.751 (2)0.2106 (16)1.7525 (13)0.082 (7)0.25
N11.1275 (2)0.20544 (18)0.89609 (18)0.0190 (5)
N21.2507 (2)0.09295 (19)0.83350 (19)0.0215 (5)
N31.3776 (2)0.39755 (19)0.70153 (18)0.0187 (5)
N41.2391 (2)0.32441 (19)0.60092 (19)0.0206 (5)
C011.2345 (3)0.5654 (3)1.0994 (3)0.0304 (7)
H01A1.31400.60831.10230.036*
H01B1.15920.56801.14460.036*
C21.4326 (3)0.4290 (2)0.7632 (2)0.0195 (6)
C31.4788 (3)0.5372 (2)0.7401 (2)0.0206 (6)
H3A1.51670.55590.78420.025*
C41.4682 (3)0.6180 (2)0.6505 (2)0.0209 (6)
C51.4106 (3)0.5847 (2)0.5876 (2)0.0212 (6)
H5A1.40160.63590.52730.025*
C61.3666 (3)0.4750 (2)0.6149 (2)0.0196 (6)
C71.3000 (3)0.4341 (2)0.5535 (2)0.0196 (6)
C81.2985 (3)0.5036 (2)0.4542 (2)0.0220 (6)
H8A1.34010.57860.42380.026*
C91.2344 (3)0.4598 (3)0.4016 (2)0.0264 (7)
H9A1.23270.50480.33490.032*
C101.1726 (3)0.3480 (3)0.4493 (3)0.0285 (7)
H10A1.12920.31660.41520.034*
C111.1767 (3)0.2839 (3)0.5485 (2)0.0260 (7)
H11A1.13400.20890.58060.031*
C131.4431 (3)0.3412 (2)0.8580 (2)0.0205 (6)
C141.4869 (3)0.2605 (2)0.8492 (2)0.0234 (6)
H14A1.51250.26270.78350.028*
C151.4922 (3)0.1771 (3)0.9382 (3)0.0290 (7)
H15A1.52250.12390.93210.035*
C161.4521 (3)0.1728 (3)1.0369 (3)0.0314 (8)
H16A1.45160.11501.09730.038*
C171.4129 (3)0.2547 (3)1.0448 (2)0.0300 (7)
H17A1.38970.25331.11030.036*
C181.4080 (3)0.3390 (2)0.9564 (2)0.0238 (6)
H18A1.38150.39380.96230.029*
C191.5167 (3)0.7342 (2)0.6241 (2)0.0231 (6)
C201.5698 (4)0.8161 (3)0.5187 (3)0.0321 (8)
H20A1.57310.79800.46440.039*
C211.6178 (4)0.9249 (3)0.4939 (3)0.0382 (9)
H21A1.65300.97900.42320.046*
C221.6134 (4)0.9530 (3)0.5741 (3)0.0312 (8)
H22A1.64551.02580.55750.037*
C231.5611 (3)0.8725 (3)0.6785 (3)0.0297 (7)
H23A1.55750.89100.73260.036*
C241.5136 (3)0.7639 (3)0.7035 (2)0.0277 (7)
H24A1.47920.71010.77440.033*
C311.1376 (3)0.1188 (2)0.9749 (2)0.0192 (6)
C321.1027 (3)0.0981 (2)1.0797 (2)0.0217 (6)
H32A1.11040.03721.13180.026*
C331.0560 (3)0.1687 (2)1.1068 (2)0.0218 (6)
C341.0456 (3)0.2580 (2)1.0249 (2)0.0225 (6)
H34A1.01500.30721.03950.027*
C351.0810 (3)0.2732 (2)0.9219 (2)0.0197 (6)
C371.1947 (3)0.0496 (2)0.9402 (2)0.0191 (6)
C381.1924 (3)0.0514 (2)1.0114 (2)0.0235 (6)
H38A1.15380.07921.08420.028*
C391.2485 (3)0.1102 (2)0.9727 (3)0.0274 (7)
H39A1.24820.17801.01910.033*
C401.3051 (3)0.0671 (3)0.8643 (3)0.0287 (7)
H40A1.34260.10550.83640.034*
C411.3048 (3)0.0344 (2)0.7980 (3)0.0274 (7)
H41A1.34420.06360.72510.033*
C431.0220 (3)0.3579 (2)0.7576 (2)0.0239 (6)
H43A0.98930.28940.76300.029*
C441.1185 (3)0.4716 (2)0.8263 (3)0.0257 (7)
H44A1.14970.47930.87810.031*
C451.1173 (3)0.5620 (3)0.7415 (3)0.0335 (8)
H45A1.14890.63040.73640.040*
C461.0700 (3)0.5518 (3)0.6646 (3)0.0320 (8)
H46A1.07140.61330.60720.038*
C471.0200 (3)0.4493 (3)0.6731 (2)0.0293 (7)
H47A0.98550.44180.62260.035*
C481.0726 (3)0.3686 (2)0.8337 (2)0.0204 (6)
C491.0232 (3)0.1539 (2)1.2167 (2)0.0238 (6)
C501.1000 (3)0.1185 (3)1.2785 (2)0.0298 (7)
H50A1.16900.09931.25270.036*
C511.0748 (4)0.1115 (3)1.3785 (3)0.0344 (8)
H51A1.12890.09021.41830.041*
C520.9689 (4)0.1362 (3)1.4189 (3)0.0342 (8)
H52A0.95070.13011.48640.041*
C530.8908 (4)0.1698 (2)1.3589 (2)0.0311 (8)
H53A0.81940.18581.38630.037*
C540.9180 (3)0.1800 (2)1.2580 (2)0.0274 (7)
H54A0.86590.20431.21740.033*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0267 (2)0.01793 (18)0.01929 (19)0.00702 (15)0.00749 (15)0.00598 (15)
Cl10.0423 (5)0.0308 (4)0.0306 (4)0.0039 (4)0.0035 (4)0.0171 (4)
Cl010.0518 (6)0.0359 (5)0.0461 (5)0.0186 (4)0.0181 (5)0.0198 (4)
Cl020.0501 (6)0.0435 (5)0.0335 (5)0.0171 (4)0.0181 (4)0.0196 (4)
O10.061 (3)0.048 (3)0.077 (3)0.011 (2)0.012 (3)0.023 (3)
O20.089 (5)0.106 (5)0.160 (6)0.068 (4)0.030 (4)0.030 (4)
O30.173 (7)0.083 (4)0.032 (3)0.019 (5)0.014 (4)0.016 (3)
O40.070 (4)0.056 (3)0.111 (5)0.022 (3)0.029 (4)0.063 (4)
O1'0.101 (16)0.033 (8)0.142 (18)0.018 (9)0.001 (14)0.016 (9)
O2'0.107 (16)0.21 (3)0.034 (9)0.089 (18)0.007 (10)0.028 (12)
O3'0.062 (9)0.077 (9)0.052 (8)0.018 (7)0.032 (7)0.024 (7)
O4'0.105 (16)0.117 (17)0.117 (18)0.071 (17)0.087 (16)0.101 (16)
N10.0174 (12)0.0142 (11)0.0176 (12)0.0014 (10)0.0037 (10)0.0039 (10)
N20.0224 (13)0.0194 (12)0.0221 (13)0.0070 (10)0.0073 (11)0.0096 (10)
N30.0152 (12)0.0194 (12)0.0166 (12)0.0043 (10)0.0029 (10)0.0062 (10)
N40.0205 (13)0.0225 (12)0.0208 (13)0.0080 (11)0.0086 (11)0.0111 (11)
C010.0297 (18)0.0356 (18)0.0307 (18)0.0109 (15)0.0107 (15)0.0202 (15)
C20.0164 (14)0.0221 (14)0.0147 (14)0.0049 (12)0.0050 (12)0.0050 (12)
C30.0196 (15)0.0221 (14)0.0201 (15)0.0050 (12)0.0087 (12)0.0102 (12)
C40.0187 (15)0.0202 (14)0.0177 (14)0.0057 (12)0.0013 (12)0.0065 (12)
C50.0242 (16)0.0199 (14)0.0155 (14)0.0071 (12)0.0070 (12)0.0049 (12)
C60.0176 (14)0.0219 (14)0.0151 (14)0.0059 (12)0.0050 (12)0.0059 (12)
C70.0194 (15)0.0208 (14)0.0156 (14)0.0067 (12)0.0046 (12)0.0069 (12)
C80.0193 (15)0.0247 (15)0.0203 (15)0.0067 (13)0.0074 (12)0.0096 (12)
C90.0251 (17)0.0356 (18)0.0177 (15)0.0114 (14)0.0109 (13)0.0100 (13)
C100.0280 (18)0.0348 (18)0.0309 (17)0.0098 (15)0.0163 (15)0.0206 (15)
C110.0266 (17)0.0242 (15)0.0296 (17)0.0078 (13)0.0117 (14)0.0146 (14)
C130.0166 (15)0.0194 (14)0.0192 (14)0.0013 (12)0.0085 (12)0.0053 (12)
C140.0198 (16)0.0255 (15)0.0234 (15)0.0057 (13)0.0097 (13)0.0105 (13)
C150.0277 (18)0.0246 (16)0.0338 (18)0.0097 (14)0.0165 (15)0.0100 (14)
C160.0294 (18)0.0263 (16)0.0280 (17)0.0064 (14)0.0171 (15)0.0021 (14)
C170.0248 (17)0.0362 (18)0.0195 (16)0.0051 (15)0.0077 (14)0.0077 (14)
C180.0199 (16)0.0258 (15)0.0211 (15)0.0040 (13)0.0079 (13)0.0089 (13)
C190.0234 (16)0.0199 (14)0.0224 (15)0.0057 (13)0.0075 (13)0.0080 (12)
C200.046 (2)0.0243 (16)0.0232 (16)0.0073 (15)0.0118 (15)0.0111 (14)
C210.056 (3)0.0231 (17)0.0242 (17)0.0059 (17)0.0101 (17)0.0074 (14)
C220.039 (2)0.0230 (16)0.0309 (18)0.0075 (15)0.0109 (16)0.0139 (14)
C230.0347 (19)0.0318 (17)0.0267 (17)0.0104 (15)0.0097 (15)0.0185 (15)
C240.0301 (18)0.0266 (16)0.0199 (15)0.0064 (14)0.0061 (14)0.0083 (13)
C310.0161 (14)0.0176 (13)0.0230 (15)0.0043 (12)0.0082 (12)0.0090 (12)
C320.0213 (16)0.0166 (14)0.0214 (15)0.0055 (12)0.0067 (13)0.0046 (12)
C330.0205 (15)0.0192 (14)0.0224 (15)0.0047 (12)0.0077 (13)0.0081 (12)
C340.0203 (15)0.0212 (14)0.0259 (16)0.0079 (12)0.0069 (13)0.0112 (13)
C350.0165 (15)0.0166 (13)0.0222 (15)0.0041 (12)0.0064 (12)0.0069 (12)
C370.0170 (15)0.0156 (13)0.0222 (15)0.0042 (11)0.0075 (12)0.0071 (12)
C380.0231 (16)0.0170 (14)0.0258 (16)0.0059 (12)0.0093 (13)0.0063 (12)
C390.0278 (17)0.0156 (14)0.0362 (18)0.0074 (13)0.0147 (15)0.0084 (13)
C400.0315 (18)0.0263 (16)0.0369 (19)0.0149 (14)0.0142 (15)0.0191 (15)
C410.0315 (18)0.0267 (16)0.0276 (17)0.0107 (14)0.0108 (14)0.0155 (14)
C430.0223 (16)0.0229 (15)0.0257 (16)0.0088 (13)0.0067 (13)0.0109 (13)
C440.0279 (17)0.0232 (15)0.0287 (17)0.0116 (13)0.0099 (14)0.0132 (13)
C450.0327 (19)0.0227 (16)0.040 (2)0.0118 (15)0.0094 (16)0.0102 (15)
C460.0301 (18)0.0271 (16)0.0255 (17)0.0155 (15)0.0037 (14)0.0004 (14)
C470.0298 (18)0.0352 (18)0.0223 (16)0.0171 (15)0.0102 (14)0.0095 (14)
C480.0178 (15)0.0212 (14)0.0204 (15)0.0106 (12)0.0053 (12)0.0071 (12)
C490.0246 (16)0.0172 (14)0.0196 (15)0.0004 (12)0.0027 (13)0.0057 (12)
C500.0321 (19)0.0248 (16)0.0239 (16)0.0072 (14)0.0075 (14)0.0062 (13)
C510.042 (2)0.0285 (17)0.0249 (17)0.0079 (16)0.0139 (16)0.0065 (14)
C520.049 (2)0.0228 (16)0.0177 (16)0.0011 (16)0.0032 (15)0.0072 (13)
C530.040 (2)0.0192 (15)0.0233 (16)0.0058 (14)0.0009 (15)0.0079 (13)
C540.0310 (18)0.0201 (15)0.0246 (16)0.0064 (14)0.0051 (14)0.0080 (13)
Geometric parameters (Å, º) top
Cu1—N42.001 (3)C18—H18A0.9300
Cu1—N22.002 (3)C19—C241.388 (4)
Cu1—N12.099 (2)C19—C201.391 (4)
Cu1—N32.106 (2)C20—C211.389 (4)
Cl1—O31.387 (4)C20—H20A0.9300
Cl1—O2'1.398 (5)C21—C221.386 (5)
Cl1—O1'1.400 (5)C21—H21A0.9300
Cl1—O41.401 (3)C22—C231.374 (4)
Cl1—O11.402 (3)C22—H22A0.9300
Cl1—O4'1.410 (5)C23—C241.387 (4)
Cl1—O3'1.442 (5)C23—H23A0.9300
Cl1—O21.445 (4)C24—H24A0.9300
Cl01—C011.767 (3)C31—C321.387 (4)
Cl02—C011.766 (3)C31—C371.489 (4)
N1—C351.345 (4)C32—C331.394 (4)
N1—C311.353 (4)C32—H32A0.9300
N2—C411.341 (4)C33—C341.398 (4)
N2—C371.357 (4)C33—C491.486 (4)
N3—C21.349 (4)C34—C351.387 (4)
N3—C61.351 (4)C34—H34A0.9300
N4—C111.341 (4)C35—C481.485 (4)
N4—C71.357 (4)C37—C381.387 (4)
C01—H01A0.9700C38—C391.382 (4)
C01—H01B0.9700C38—H38A0.9300
C2—C31.388 (4)C39—C401.380 (5)
C2—C131.491 (4)C39—H39A0.9300
C3—C41.398 (4)C40—C411.381 (4)
C3—H3A0.9300C40—H40A0.9300
C4—C51.393 (4)C41—H41A0.9300
C4—C191.483 (4)C43—C481.388 (4)
C5—C61.390 (4)C43—C471.395 (4)
C5—H5A0.9300C43—H43A0.9300
C6—C71.482 (4)C44—C451.384 (4)
C7—C81.391 (4)C44—C481.401 (4)
C8—C91.381 (4)C44—H44A0.9300
C8—H8A0.9300C45—C461.378 (5)
C9—C101.384 (4)C45—H45A0.9300
C9—H9A0.9300C46—C471.392 (5)
C10—C111.380 (4)C46—H46A0.9300
C10—H10A0.9300C47—H47A0.9300
C11—H11A0.9300C49—C501.388 (4)
C13—C141.397 (4)C49—C541.399 (4)
C13—C181.398 (4)C50—C511.390 (5)
C14—C151.385 (4)C50—H50A0.9300
C14—H14A0.9300C51—C521.388 (5)
C15—C161.393 (5)C51—H51A0.9300
C15—H15A0.9300C52—C531.378 (5)
C16—C171.383 (5)C52—H52A0.9300
C16—H16A0.9300C53—C541.384 (4)
C17—C181.384 (4)C53—H53A0.9300
C17—H17A0.9300C54—H54A0.9300
N4—Cu1—N2135.56 (10)C17—C16—H16A120.1
N4—Cu1—N1130.95 (10)C15—C16—H16A120.1
N2—Cu1—N180.45 (10)C16—C17—C18120.6 (3)
N4—Cu1—N380.55 (10)C16—C17—H17A119.7
N2—Cu1—N3131.15 (10)C18—C17—H17A119.7
N1—Cu1—N398.90 (9)C17—C18—C13119.6 (3)
O3—Cl1—O2'45.1 (8)C17—C18—H18A120.2
O3—Cl1—O1'109.0 (10)C13—C18—H18A120.2
O2'—Cl1—O1'116.3 (13)C24—C19—C20118.4 (3)
O3—Cl1—O4111.8 (4)C24—C19—C4121.1 (3)
O2'—Cl1—O494.4 (11)C20—C19—C4120.5 (3)
O1'—Cl1—O4139.1 (10)C21—C20—C19120.6 (3)
O3—Cl1—O1113.9 (4)C21—C20—H20A119.7
O2'—Cl1—O1150.8 (11)C19—C20—H20A119.7
O1'—Cl1—O143.4 (8)C22—C21—C20120.2 (3)
O4—Cl1—O1114.1 (4)C22—C21—H21A119.9
O3—Cl1—O4'142.5 (10)C20—C21—H21A119.9
O2'—Cl1—O4'111.2 (14)C23—C22—C21119.6 (3)
O1'—Cl1—O4'108.1 (12)C23—C22—H22A120.2
O4—Cl1—O4'31.8 (7)C21—C22—H22A120.2
O1—Cl1—O4'96.8 (11)C22—C23—C24120.3 (3)
O3—Cl1—O3'67.1 (6)C22—C23—H23A119.9
O2'—Cl1—O3'107.0 (9)C24—C23—H23A119.9
O1'—Cl1—O3'107.1 (10)C23—C24—C19120.9 (3)
O4—Cl1—O3'87.0 (6)C23—C24—H24A119.5
O1—Cl1—O3'70.8 (6)C19—C24—H24A119.5
O4'—Cl1—O3'106.6 (10)N1—C31—C32122.8 (3)
O3—Cl1—O2103.5 (5)N1—C31—C37115.0 (3)
O2'—Cl1—O269.9 (8)C32—C31—C37122.2 (3)
O1'—Cl1—O263.5 (9)C31—C32—C33119.7 (3)
O4—Cl1—O2107.9 (4)C31—C32—H32A120.1
O1—Cl1—O2104.4 (4)C33—C32—H32A120.1
O4'—Cl1—O288.1 (9)C32—C33—C34117.1 (3)
O3'—Cl1—O2164.8 (6)C32—C33—C49122.3 (3)
C35—N1—C31117.8 (2)C34—C33—C49120.6 (3)
C35—N1—Cu1127.12 (19)C35—C34—C33120.1 (3)
C31—N1—Cu1111.41 (19)C35—C34—H34A119.9
C41—N2—C37117.6 (3)C33—C34—H34A119.9
C41—N2—Cu1127.1 (2)N1—C35—C34122.4 (3)
C37—N2—Cu1115.26 (19)N1—C35—C48116.7 (3)
C2—N3—C6118.1 (2)C34—C35—C48120.8 (3)
C2—N3—Cu1127.25 (19)N2—C37—C38122.2 (3)
C6—N3—Cu1111.16 (19)N2—C37—C31115.2 (2)
C11—N4—C7117.7 (3)C38—C37—C31122.6 (3)
C11—N4—Cu1127.4 (2)C39—C38—C37119.0 (3)
C7—N4—Cu1114.88 (19)C39—C38—H38A120.5
Cl02—C01—Cl01111.71 (17)C37—C38—H38A120.5
Cl02—C01—H01A109.3C40—C39—C38119.3 (3)
Cl01—C01—H01A109.3C40—C39—H39A120.4
Cl02—C01—H01B109.3C38—C39—H39A120.4
Cl01—C01—H01B109.3C39—C40—C41118.6 (3)
H01A—C01—H01B107.9C39—C40—H40A120.7
N3—C2—C3122.4 (3)C41—C40—H40A120.7
N3—C2—C13116.5 (2)N2—C41—C40123.3 (3)
C3—C2—C13121.1 (3)N2—C41—H41A118.3
C2—C3—C4119.9 (3)C40—C41—H41A118.3
C2—C3—H3A120.0C48—C43—C47120.3 (3)
C4—C3—H3A120.0C48—C43—H43A119.8
C5—C4—C3117.3 (3)C47—C43—H43A119.8
C5—C4—C19121.7 (3)C45—C44—C48119.9 (3)
C3—C4—C19121.0 (3)C45—C44—H44A120.1
C6—C5—C4120.0 (3)C48—C44—H44A120.1
C6—C5—H5A120.0C46—C45—C44120.8 (3)
C4—C5—H5A120.0C46—C45—H45A119.6
N3—C6—C5122.3 (3)C44—C45—H45A119.6
N3—C6—C7115.1 (2)C45—C46—C47119.8 (3)
C5—C6—C7122.5 (3)C45—C46—H46A120.1
N4—C7—C8122.1 (3)C47—C46—H46A120.1
N4—C7—C6115.7 (2)C46—C47—C43119.8 (3)
C8—C7—C6122.2 (3)C46—C47—H47A120.1
C9—C8—C7119.0 (3)C43—C47—H47A120.1
C9—C8—H8A120.5C43—C48—C44119.4 (3)
C7—C8—H8A120.5C43—C48—C35121.4 (3)
C8—C9—C10119.1 (3)C44—C48—C35119.3 (3)
C8—C9—H9A120.4C50—C49—C54118.7 (3)
C10—C9—H9A120.4C50—C49—C33120.7 (3)
C11—C10—C9118.7 (3)C54—C49—C33120.6 (3)
C11—C10—H10A120.6C49—C50—C51120.8 (3)
C9—C10—H10A120.6C49—C50—H50A119.6
N4—C11—C10123.3 (3)C51—C50—H50A119.6
N4—C11—H11A118.4C52—C51—C50119.8 (3)
C10—C11—H11A118.4C52—C51—H51A120.1
C14—C13—C18119.8 (3)C50—C51—H51A120.1
C14—C13—C2120.2 (3)C53—C52—C51119.9 (3)
C18—C13—C2120.0 (3)C53—C52—H52A120.1
C15—C14—C13120.0 (3)C51—C52—H52A120.1
C15—C14—H14A120.0C52—C53—C54120.4 (3)
C13—C14—H14A120.0C52—C53—H53A119.8
C14—C15—C16120.0 (3)C54—C53—H53A119.8
C14—C15—H15A120.0C53—C54—C49120.4 (3)
C16—C15—H15A120.0C53—C54—H54A119.8
C17—C16—C15119.9 (3)C49—C54—H54A119.8
 

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