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In the crystal structure of the title compound, [Cu(ClO4)2(C13H14N2)2]n, there are two independent CuII ions, one of which occupies a crystallographic inversion center. The 1,3-bis­(4-pyrid­yl)propane ligands bridge the CuII ions to form two independent two-dimensional sheets. In addition, two terminal perchlorate anions are coordinated to each CuII ion, resulting in distorted octa­hedral coordination around each CuII ion. The equatorial Cu—N bonds are in the range 2.014 (4)–2.031 (4) Å, while the long axial Cu—O distances range from 2.434 (3) to 2.548 (3) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805020878/hb6230sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805020878/hb6230Isup2.hkl
Contains datablock I

CCDC reference: 282361

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.057
  • wR factor = 0.159
  • Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C35 PLAT411_ALERT_2_B Short Inter H...H Contact H35B .. H35B .. 2.09 Ang.
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.689 0.952 Tmin(prime) and Tmax expected: 0.905 0.943 RR(prime) = 0.754 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.75 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.78 Ratio PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.96 Ratio PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C34 - C35 ... 1.39 Ang.
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 6 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 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 2003); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXTL/PC (Sheldrick, 2001); program(s) used to refine structure: SHELXTL/PC; molecular graphics: SHELXTL/PC; software used to prepare material for publication: SHELXTL/PC.

poly[[diperchloratocopper(II)]-bis[µ2-1,3-bis(4-pyridyl)propane]] top
Crystal data top
[Cu(ClO4)2(C13H14N2)2]F(000) = 2034
Mr = 658.96Dx = 1.483 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 27195 reflections
a = 15.0179 (5) Åθ = 2.6–27.5°
b = 16.2881 (5) ŵ = 0.98 mm1
c = 18.5719 (7) ÅT = 150 K
β = 102.9642 (13)°Block, violet
V = 4427.2 (3) Å30.10 × 0.08 × 0.06 mm
Z = 6
Data collection top
Bruker–Nonius KappaCCD
diffractometer
7778 independent reflections
Radiation source: fine-focus sealed tube5253 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.097
Detector resolution: 9 pixels mm-1θmax = 25.0°, θmin = 2.6°
φ scans and ω scans with κ offsetsh = 1716
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 1819
Tmin = 0.689, Tmax = 0.952l = 2122
27195 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.057H-atom parameters constrained
wR(F2) = 0.159 w = 1/[σ2(Fo2) + (0.0775P)2 + 2.2199P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max < 0.001
7778 reflectionsΔρmax = 0.46 e Å3
557 parametersΔρmin = 0.68 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0013 (3)
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
Cu10.50000.50000.50000.0314 (2)
N10.4540 (2)0.0473 (2)0.8983 (2)0.0321 (8)
N20.4481 (2)0.3978 (2)0.5369 (2)0.0324 (8)
C10.4701 (3)0.3228 (3)0.5153 (3)0.0403 (11)
H1A0.52200.31810.49420.048*
C20.4217 (3)0.2533 (3)0.5221 (2)0.0379 (11)
H2A0.44000.20210.50570.046*
C30.3459 (3)0.2578 (3)0.5530 (2)0.0316 (10)
C40.3244 (3)0.3343 (3)0.5782 (2)0.0371 (11)
H4A0.27450.34000.60150.045*
C50.3766 (3)0.4013 (3)0.5689 (2)0.0370 (11)
H5A0.36100.45310.58620.044*
C60.2912 (3)0.1824 (3)0.5625 (2)0.0372 (11)
H6A0.28720.14560.51940.045*
H6B0.22840.19880.56470.045*
C70.3358 (3)0.1361 (3)0.6335 (2)0.0364 (11)
H7A0.29910.08660.63800.044*
H7B0.39760.11780.63010.044*
C80.3433 (3)0.1893 (3)0.7025 (3)0.0387 (11)
H8A0.38300.23720.69970.046*
H8B0.28210.20990.70490.046*
C100.3824 (3)0.1408 (3)0.7704 (3)0.0362 (11)
C110.4751 (3)0.1266 (3)0.7947 (3)0.0397 (11)
H11A0.51660.14890.76800.048*
C120.5080 (3)0.0803 (3)0.8574 (3)0.0411 (12)
H12A0.57200.07150.87230.049*
C130.3634 (3)0.0606 (3)0.8745 (2)0.0360 (10)
H13A0.32350.03800.90250.043*
C140.3260 (3)0.1045 (3)0.8128 (2)0.0374 (11)
H14A0.26160.11080.79820.045*
Cl10.25978 (7)0.59447 (7)0.48949 (6)0.0355 (3)
O10.3538 (2)0.5841 (2)0.48385 (19)0.0439 (8)
O20.2196 (2)0.6604 (2)0.4430 (2)0.0538 (10)
O30.2588 (2)0.6122 (2)0.56544 (19)0.0487 (9)
O40.2109 (2)0.5195 (2)0.46686 (19)0.0438 (8)
Cu20.16100 (4)0.04187 (3)0.34533 (3)0.03170 (18)
N30.2218 (2)0.0767 (2)0.4487 (2)0.0321 (8)
N40.1974 (2)0.3496 (2)0.8087 (2)0.0340 (9)
N50.1296 (2)0.0692 (2)0.3828 (2)0.0354 (9)
N60.1042 (2)0.5043 (2)0.74131 (19)0.0323 (8)
C150.1983 (3)0.1458 (3)0.4798 (3)0.0374 (11)
H15A0.14650.17570.45420.045*
C160.2462 (3)0.1753 (3)0.5473 (3)0.0374 (11)
H16A0.22640.22380.56750.045*
C170.3231 (3)0.1340 (3)0.5854 (2)0.0348 (10)
C180.3477 (3)0.0626 (3)0.5529 (3)0.0388 (11)
H18A0.40000.03230.57690.047*
C190.2959 (3)0.0364 (3)0.4863 (3)0.0360 (11)
H19A0.31340.01290.46580.043*
C200.3792 (3)0.1640 (3)0.6581 (3)0.0423 (12)
H20A0.44410.16680.65520.051*
H20B0.35930.22020.66740.051*
C210.3707 (3)0.1088 (3)0.7226 (3)0.0460 (13)
H21A0.41770.12520.76670.055*
H21B0.38370.05150.71050.055*
C220.2773 (4)0.1117 (3)0.7417 (3)0.0454 (12)
H22A0.27710.07250.78250.054*
H22B0.23070.09300.69830.054*
C230.2502 (3)0.1956 (3)0.7646 (3)0.0370 (11)
C240.3124 (3)0.2475 (3)0.8085 (3)0.0424 (12)
H24A0.37460.23150.82430.051*
C250.2840 (3)0.3227 (3)0.8294 (3)0.0378 (11)
H25A0.32780.35720.85990.045*
C260.1369 (3)0.2993 (3)0.7663 (2)0.0363 (11)
H26A0.07500.31660.75150.044*
C270.1604 (3)0.2237 (3)0.7430 (3)0.0399 (11)
H27A0.11540.19050.71220.048*
C280.1515 (3)0.1382 (3)0.3524 (3)0.0405 (11)
H28A0.19190.13570.31980.049*
C290.1164 (3)0.2140 (3)0.3671 (3)0.0443 (12)
H29A0.13440.26240.34560.053*
C300.0557 (3)0.2194 (3)0.4130 (3)0.0439 (13)
C310.0371 (4)0.1471 (3)0.4466 (3)0.0524 (14)
H31A0.00140.14800.48070.063*
C320.0745 (3)0.0744 (3)0.4305 (3)0.0424 (12)
H32A0.06090.02570.45400.051*
C330.0127 (4)0.2993 (3)0.4273 (3)0.0607 (17)
H33A0.05360.29090.42260.073*
H33B0.02060.33990.38960.073*
C340.0547 (4)0.3337 (4)0.5044 (4)0.076 (2)
H34A0.06550.28770.54020.092*
H34B0.11470.35830.50370.092*
C350.0015 (5)0.3922 (6)0.5291 (4)0.096 (3)
H35A0.05800.36660.52980.116*
H35B0.01050.43680.49210.116*
C360.0377 (3)0.4305 (4)0.6033 (3)0.0546 (15)
C370.0107 (3)0.4279 (3)0.6587 (3)0.0478 (13)
H37A0.06800.40060.65010.057*
C380.0235 (3)0.4643 (3)0.7255 (3)0.0373 (11)
H38A0.01110.46140.76240.045*
C390.1512 (3)0.5085 (3)0.6879 (3)0.0387 (11)
H39A0.20740.53760.69730.046*
C400.1209 (3)0.4721 (4)0.6198 (3)0.0491 (13)
H40A0.15690.47540.58390.059*
Cl20.38975 (8)0.04822 (8)0.32392 (8)0.0498 (3)
O50.3017 (2)0.0153 (2)0.3222 (2)0.0535 (9)
O60.3941 (4)0.0843 (5)0.2583 (3)0.137 (3)
O70.4100 (3)0.1062 (3)0.3843 (3)0.0965 (17)
O80.4554 (3)0.0152 (3)0.3424 (3)0.0933 (17)
Cl30.07474 (8)0.11524 (8)0.33164 (7)0.0444 (3)
O90.0212 (2)0.1050 (2)0.36641 (18)0.0463 (9)
O100.0841 (3)0.1231 (3)0.2539 (2)0.0620 (11)
O110.1078 (3)0.1867 (3)0.3599 (3)0.0850 (15)
O120.1233 (3)0.0451 (3)0.3464 (3)0.0893 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0341 (4)0.0340 (4)0.0265 (4)0.0067 (3)0.0076 (3)0.0030 (3)
N10.031 (2)0.036 (2)0.0291 (19)0.0044 (16)0.0052 (16)0.0042 (16)
N20.033 (2)0.035 (2)0.030 (2)0.0023 (16)0.0089 (16)0.0049 (16)
C10.041 (3)0.042 (3)0.042 (3)0.004 (2)0.018 (2)0.004 (2)
C20.046 (3)0.034 (3)0.036 (3)0.005 (2)0.014 (2)0.003 (2)
C30.032 (2)0.036 (3)0.024 (2)0.0032 (19)0.0010 (18)0.0062 (19)
C40.036 (3)0.045 (3)0.032 (2)0.000 (2)0.012 (2)0.007 (2)
C50.044 (3)0.036 (3)0.031 (2)0.003 (2)0.010 (2)0.001 (2)
C60.036 (3)0.043 (3)0.030 (2)0.006 (2)0.000 (2)0.006 (2)
C70.034 (2)0.039 (3)0.036 (3)0.003 (2)0.007 (2)0.001 (2)
C80.041 (3)0.037 (3)0.035 (3)0.001 (2)0.003 (2)0.004 (2)
C100.041 (3)0.031 (2)0.034 (3)0.002 (2)0.002 (2)0.0003 (19)
C110.042 (3)0.045 (3)0.033 (3)0.001 (2)0.010 (2)0.010 (2)
C120.027 (2)0.057 (3)0.039 (3)0.004 (2)0.009 (2)0.009 (2)
C130.035 (2)0.041 (3)0.033 (2)0.002 (2)0.008 (2)0.004 (2)
C140.033 (2)0.045 (3)0.032 (3)0.002 (2)0.003 (2)0.006 (2)
Cl10.0309 (6)0.0382 (6)0.0377 (6)0.0011 (4)0.0081 (5)0.0017 (5)
O10.0283 (17)0.048 (2)0.057 (2)0.0030 (14)0.0131 (15)0.0086 (17)
O20.054 (2)0.046 (2)0.058 (2)0.0109 (17)0.0033 (18)0.0079 (18)
O30.055 (2)0.053 (2)0.040 (2)0.0009 (17)0.0126 (17)0.0081 (16)
O40.0359 (18)0.0423 (19)0.054 (2)0.0090 (14)0.0115 (16)0.0110 (16)
Cu20.0323 (3)0.0343 (3)0.0278 (3)0.0025 (2)0.0053 (2)0.0010 (2)
N30.0312 (19)0.031 (2)0.034 (2)0.0008 (15)0.0052 (16)0.0016 (16)
N40.030 (2)0.038 (2)0.032 (2)0.0007 (16)0.0031 (16)0.0012 (16)
N50.036 (2)0.041 (2)0.029 (2)0.0025 (17)0.0051 (17)0.0003 (17)
N60.035 (2)0.035 (2)0.0260 (19)0.0003 (16)0.0044 (16)0.0007 (16)
C150.033 (2)0.042 (3)0.035 (3)0.003 (2)0.002 (2)0.001 (2)
C160.041 (3)0.035 (3)0.037 (3)0.006 (2)0.012 (2)0.001 (2)
C170.030 (2)0.042 (3)0.032 (3)0.0007 (19)0.0074 (19)0.002 (2)
C180.036 (3)0.039 (3)0.038 (3)0.005 (2)0.001 (2)0.001 (2)
C190.041 (3)0.029 (2)0.036 (2)0.0070 (19)0.002 (2)0.0021 (19)
C200.039 (3)0.045 (3)0.041 (3)0.004 (2)0.003 (2)0.010 (2)
C210.053 (3)0.040 (3)0.041 (3)0.014 (2)0.001 (2)0.004 (2)
C220.064 (3)0.036 (3)0.036 (3)0.005 (2)0.011 (2)0.001 (2)
C230.044 (3)0.033 (2)0.032 (2)0.004 (2)0.006 (2)0.0019 (19)
C240.035 (3)0.047 (3)0.042 (3)0.004 (2)0.002 (2)0.004 (2)
C250.033 (3)0.039 (3)0.040 (3)0.000 (2)0.006 (2)0.001 (2)
C260.032 (2)0.045 (3)0.031 (2)0.002 (2)0.005 (2)0.001 (2)
C270.041 (3)0.042 (3)0.037 (3)0.007 (2)0.010 (2)0.000 (2)
C280.044 (3)0.040 (3)0.038 (3)0.005 (2)0.011 (2)0.003 (2)
C290.054 (3)0.040 (3)0.036 (3)0.006 (2)0.002 (2)0.002 (2)
C300.041 (3)0.048 (3)0.035 (3)0.010 (2)0.008 (2)0.011 (2)
C310.052 (3)0.064 (4)0.045 (3)0.004 (3)0.017 (3)0.019 (3)
C320.047 (3)0.046 (3)0.037 (3)0.000 (2)0.015 (2)0.002 (2)
C330.053 (3)0.058 (4)0.062 (4)0.020 (3)0.006 (3)0.027 (3)
C340.057 (4)0.086 (5)0.071 (4)0.028 (3)0.017 (3)0.047 (4)
C350.058 (4)0.164 (8)0.058 (4)0.021 (4)0.005 (3)0.057 (5)
C360.041 (3)0.081 (4)0.039 (3)0.010 (3)0.004 (2)0.019 (3)
C370.036 (3)0.060 (3)0.044 (3)0.003 (2)0.002 (2)0.011 (3)
C380.028 (2)0.048 (3)0.036 (3)0.002 (2)0.0062 (19)0.001 (2)
C390.032 (2)0.050 (3)0.036 (3)0.003 (2)0.012 (2)0.006 (2)
C400.042 (3)0.079 (4)0.027 (2)0.008 (3)0.010 (2)0.002 (2)
Cl20.0356 (7)0.0594 (8)0.0562 (8)0.0075 (6)0.0143 (6)0.0006 (6)
O50.0296 (18)0.066 (2)0.067 (2)0.0088 (16)0.0155 (17)0.001 (2)
O60.117 (5)0.202 (7)0.094 (4)0.046 (5)0.030 (4)0.063 (5)
O70.086 (3)0.092 (4)0.115 (4)0.026 (3)0.028 (3)0.059 (3)
O80.043 (2)0.093 (3)0.130 (5)0.018 (2)0.009 (3)0.036 (3)
Cl30.0284 (6)0.0581 (8)0.0457 (7)0.0030 (5)0.0060 (5)0.0029 (6)
O90.0294 (17)0.065 (2)0.0411 (19)0.0048 (15)0.0014 (14)0.0009 (17)
O100.052 (2)0.088 (3)0.043 (2)0.011 (2)0.0045 (18)0.009 (2)
O110.069 (3)0.093 (3)0.096 (4)0.030 (2)0.026 (3)0.032 (3)
O120.054 (3)0.099 (4)0.112 (4)0.030 (2)0.013 (3)0.026 (3)
Geometric parameters (Å, º) top
Cu1—N1i2.014 (3)C16—C171.386 (6)
Cu1—N1ii2.014 (3)C16—H16A0.9500
Cu1—N2iii2.022 (4)C17—C181.396 (6)
Cu1—N22.022 (4)C17—C201.504 (6)
Cu1—O12.548 (3)C18—C191.373 (6)
Cu1—O1iii2.548 (3)C18—H18A0.9500
N1—C121.341 (6)C19—H19A0.9500
N1—C131.351 (5)C20—C211.525 (7)
N1—Cu1iv2.014 (3)C20—H20A0.9900
N2—C51.341 (6)C20—H20B0.9900
N2—C11.349 (6)C21—C221.523 (7)
C1—C21.365 (6)C21—H21A0.9900
C1—H1A0.9500C21—H21B0.9900
C2—C31.387 (6)C22—C231.514 (7)
C2—H2A0.9500C22—H22A0.9900
C3—C41.395 (6)C22—H22B0.9900
C3—C61.510 (6)C23—C241.382 (6)
C4—C51.378 (6)C23—C271.394 (6)
C4—H4A0.9500C24—C251.382 (7)
C5—H5A0.9500C24—H24A0.9500
C6—C71.535 (6)C25—H25A0.9500
C6—H6A0.9900C26—C271.378 (7)
C6—H6B0.9900C26—H26A0.9500
C7—C81.530 (7)C27—H27A0.9500
C7—H7A0.9900C28—C291.393 (7)
C7—H7B0.9900C28—H28A0.9500
C8—C101.493 (6)C29—C301.383 (7)
C8—H8A0.9900C29—H29A0.9500
C8—H8B0.9900C30—C311.391 (8)
C10—C111.383 (6)C30—C331.502 (7)
C10—C141.408 (7)C31—C321.371 (7)
C11—C121.383 (6)C31—H31A0.9500
C11—H11A0.9500C32—H32A0.9500
C12—H12A0.9500C33—C341.535 (7)
C13—C141.361 (6)C33—H33A0.9900
C13—H13A0.9500C33—H33B0.9900
C14—H14A0.9500C34—C351.385 (8)
Cl1—O21.424 (3)C34—H34A0.9900
Cl1—O41.438 (3)C34—H34B0.9900
Cl1—O31.443 (4)C35—C361.499 (8)
Cl1—O11.449 (3)C35—H35A0.9900
Cu2—N4v2.014 (4)C35—H35B0.9900
Cu2—N32.014 (4)C36—C371.387 (8)
Cu2—N6ii2.023 (3)C36—C401.394 (8)
Cu2—N52.031 (4)C37—C381.368 (7)
Cu2—O52.434 (3)C37—H37A0.9500
Cu2—O92.447 (3)C38—H38A0.9500
N3—C191.345 (5)C39—C401.378 (7)
N3—C151.348 (6)C39—H39A0.9500
N4—C261.341 (6)C40—H40A0.9500
N4—C251.343 (6)Cl2—O61.368 (5)
N4—Cu2vi2.014 (4)Cl2—O81.415 (4)
N5—C281.332 (6)Cl2—O51.420 (3)
N5—C321.343 (6)Cl2—O71.445 (5)
N6—C391.343 (6)Cl3—O111.412 (4)
N6—C381.348 (6)Cl3—O121.415 (4)
N6—Cu2vii2.023 (3)Cl3—O101.426 (4)
C15—C161.384 (6)Cl3—O91.450 (3)
C15—H15A0.9500
N1i—Cu1—N1ii180C16—C17—C18117.0 (4)
N1i—Cu1—N2iii85.74 (14)C16—C17—C20122.4 (4)
N1ii—Cu1—N2iii94.26 (14)C18—C17—C20120.6 (4)
N1i—Cu1—N294.26 (14)C19—C18—C17119.8 (4)
N1ii—Cu1—N285.74 (14)C19—C18—H18A120.1
N2iii—Cu1—N2180C17—C18—H18A120.1
N1i—Cu1—O190.56 (13)N3—C19—C18123.4 (4)
N1ii—Cu1—O189.44 (13)N3—C19—H19A118.3
N2iii—Cu1—O184.55 (13)C18—C19—H19A118.3
N2—Cu1—O195.45 (13)C17—C20—C21112.7 (4)
O1—Cu1—O1iii180C17—C20—H20A109.1
C12—N1—C13116.3 (4)C21—C20—H20A109.1
C12—N1—Cu1iv124.1 (3)C17—C20—H20B109.1
C13—N1—Cu1iv118.4 (3)C21—C20—H20B109.1
C5—N2—C1116.4 (4)H20A—C20—H20B107.8
C5—N2—Cu1121.5 (3)C22—C21—C20114.1 (4)
C1—N2—Cu1120.4 (3)C22—C21—H21A108.7
N2—C1—C2123.5 (5)C20—C21—H21A108.7
N2—C1—H1A118.3C22—C21—H21B108.7
C2—C1—H1A118.3C20—C21—H21B108.7
C1—C2—C3119.9 (4)H21A—C21—H21B107.6
C1—C2—H2A120.1C23—C22—C21114.4 (4)
C3—C2—H2A120.1C23—C22—H22A108.7
C2—C3—C4117.4 (4)C21—C22—H22A108.7
C2—C3—C6121.6 (4)C23—C22—H22B108.7
C4—C3—C6120.9 (4)C21—C22—H22B108.7
C5—C4—C3119.0 (4)H22A—C22—H22B107.6
C5—C4—H4A120.5C24—C23—C27116.8 (4)
C3—C4—H4A120.5C24—C23—C22121.9 (4)
N2—C5—C4123.8 (4)C27—C23—C22121.3 (4)
N2—C5—H5A118.1C25—C24—C23119.8 (4)
C4—C5—H5A118.1C25—C24—H24A120.1
C3—C6—C7110.9 (4)C23—C24—H24A120.1
C3—C6—H6A109.5N4—C25—C24123.3 (4)
C7—C6—H6A109.5N4—C25—H25A118.4
C3—C6—H6B109.5C24—C25—H25A118.4
C7—C6—H6B109.5N4—C26—C27122.8 (4)
H6A—C6—H6B108.0N4—C26—H26A118.6
C8—C7—C6112.2 (4)C27—C26—H26A118.6
C8—C7—H7A109.2C26—C27—C23120.2 (4)
C6—C7—H7A109.2C26—C27—H27A119.9
C8—C7—H7B109.2C23—C27—H27A119.9
C6—C7—H7B109.2N5—C28—C29121.6 (5)
H7A—C7—H7B107.9N5—C28—H28A119.2
C10—C8—C7110.5 (4)C29—C28—H28A119.2
C10—C8—H8A109.6C30—C29—C28120.5 (5)
C7—C8—H8A109.6C30—C29—H29A119.7
C10—C8—H8B109.6C28—C29—H29A119.7
C7—C8—H8B109.6C29—C30—C31116.7 (4)
H8A—C8—H8B108.1C29—C30—C33122.2 (5)
C11—C10—C14115.8 (4)C31—C30—C33121.1 (5)
C11—C10—C8122.6 (4)C32—C31—C30120.0 (5)
C14—C10—C8121.5 (4)C32—C31—H31A120.0
C12—C11—C10120.5 (5)C30—C31—H31A120.0
C12—C11—H11A119.7N5—C32—C31122.8 (5)
C10—C11—H11A119.7N5—C32—H32A118.6
N1—C12—C11123.3 (4)C31—C32—H32A118.6
N1—C12—H12A118.4C30—C33—C34112.3 (4)
C11—C12—H12A118.4C30—C33—H33A109.1
N1—C13—C14123.6 (4)C34—C33—H33A109.1
N1—C13—H13A118.2C30—C33—H33B109.1
C14—C13—H13A118.2C34—C33—H33B109.1
C13—C14—C10120.4 (4)H33A—C33—H33B107.9
C13—C14—H14A119.8C35—C34—C33114.4 (5)
C10—C14—H14A119.8C35—C34—H34A108.7
O2—Cl1—O4110.1 (2)C33—C34—H34A108.7
O2—Cl1—O3110.2 (2)C35—C34—H34B108.7
O4—Cl1—O3109.9 (2)C33—C34—H34B108.7
O2—Cl1—O1109.4 (2)H34A—C34—H34B107.6
O4—Cl1—O1108.8 (2)C34—C35—C36118.3 (5)
O3—Cl1—O1108.5 (2)C34—C35—H35A107.7
Cl1—O1—Cu1151.9 (2)C36—C35—H35A107.7
N4v—Cu2—N388.58 (15)C34—C35—H35B107.7
N4v—Cu2—N6ii91.80 (15)C36—C35—H35B107.7
N3—Cu2—N6ii177.79 (15)H35A—C35—H35B107.1
N4v—Cu2—N5177.66 (15)C37—C36—C40116.4 (5)
N3—Cu2—N590.81 (14)C37—C36—C35121.8 (5)
N6ii—Cu2—N588.72 (15)C40—C36—C35121.8 (5)
N4v—Cu2—O587.92 (14)C38—C37—C36120.5 (5)
N3—Cu2—O592.85 (14)C38—C37—H37A119.8
N6ii—Cu2—O584.99 (14)C36—C37—H37A119.8
N5—Cu2—O589.85 (14)N6—C38—C37122.9 (5)
N4v—Cu2—O989.59 (14)N6—C38—H38A118.6
N3—Cu2—O987.21 (13)C37—C38—H38A118.6
N6ii—Cu2—O994.97 (13)N6—C39—C40122.4 (5)
N5—Cu2—O992.63 (14)N6—C39—H39A118.8
O5—Cu2—O9177.51 (13)C40—C39—H39A118.8
C19—N3—C15116.8 (4)C39—C40—C36120.5 (5)
C19—N3—Cu2120.2 (3)C39—C40—H40A119.8
C15—N3—Cu2122.5 (3)C36—C40—H40A119.8
C26—N4—C25117.1 (4)O6—Cl2—O8111.1 (4)
C26—N4—Cu2vi122.3 (3)O6—Cl2—O5111.9 (3)
C25—N4—Cu2vi120.5 (3)O8—Cl2—O5108.9 (3)
C28—N5—C32118.2 (4)O6—Cl2—O7111.5 (4)
C28—N5—Cu2120.5 (3)O8—Cl2—O7105.9 (3)
C32—N5—Cu2120.5 (3)O5—Cl2—O7107.3 (3)
C39—N6—C38117.4 (4)Cl2—O5—Cu2168.8 (3)
C39—N6—Cu2vii120.8 (3)O11—Cl3—O12110.8 (3)
C38—N6—Cu2vii121.3 (3)O11—Cl3—O10109.8 (3)
N3—C15—C16123.0 (4)O12—Cl3—O10109.3 (3)
N3—C15—H15A118.5O11—Cl3—O9109.1 (2)
C16—C15—H15A118.5O12—Cl3—O9108.9 (3)
C15—C16—C17119.9 (4)O10—Cl3—O9108.9 (2)
C15—C16—H16A120.1Cl3—O9—Cu2141.2 (2)
C17—C16—H16A120.1
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x, y+1/2, z1/2; (iii) x+1, y+1, z+1; (iv) x+1, y1/2, z+3/2; (v) x, y1/2, z1/2; (vi) x, y1/2, z+1/2; (vii) x, y+1/2, z+1/2.
 

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