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The title compound, [Co(C12H16ClN2O)2]ClO4, possesses two independent complex cations and two perchlorate anions in the asymmetric unit. Both CoIII atoms are six-coordinated by four N and two O atoms from two Schiff bases in slightly distorted octa­hedral coordination environments.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806031394/ci2139sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806031394/ci2139Isup2.hkl
Contains datablock I

CCDC reference: 620756

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.010 Å
  • Disorder in solvent or counterion
  • R factor = 0.082
  • wR factor = 0.238
  • Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C34
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.72 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C46 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl6 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl5 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 9.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8C ... ? PLAT431_ALERT_2_C Short Inter HL..A Contact Cl3 .. O12 .. 3.26 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C19 .. C27 .. 3.16 Ang.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 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 7 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Bis{4-chloro-2-[2-(isopropylamino)ethyliminomethyl]phenolato}cobalt(III) perchlorate top
Crystal data top
[Co(C12H16ClN2O)2]ClO4F(000) = 2640
Mr = 637.82Dx = 1.489 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3630 reflections
a = 11.362 (1) Åθ = 2.2–24.2°
b = 16.951 (2) ŵ = 0.93 mm1
c = 29.566 (3) ÅT = 298 K
β = 91.812 (2)°Plate, red
V = 5691.5 (10) Å30.30 × 0.18 × 0.08 mm
Z = 8
Data collection top
Bruker SMART CCD area-detector
diffractometer
12990 independent reflections
Radiation source: fine-focus sealed tube6337 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.090
ω scansθmax = 27.5°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1414
Tmin = 0.768, Tmax = 0.929k = 2221
48467 measured reflectionsl = 3638
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)] = 0.082Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.238H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.101P)2 + 3.5387P]
where P = (Fo2 + 2Fc2)/3
12990 reflections(Δ/σ)max = 0.001
703 parametersΔρmax = 0.91 e Å3
64 restraintsΔρmin = 0.72 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)
Co10.77601 (7)0.48791 (4)0.74281 (3)0.0458 (2)
Co20.75910 (7)0.73413 (5)0.04870 (3)0.0523 (3)
Cl11.0765 (2)0.73652 (15)0.90677 (7)0.1100 (8)
Cl21.2837 (2)0.46010 (18)0.60376 (9)0.1235 (9)
Cl31.30673 (15)0.84162 (12)0.15664 (7)0.0823 (6)
Cl40.6678 (3)1.15272 (15)0.01996 (10)0.1401 (12)
Cl50.73004 (18)0.43878 (12)0.96086 (8)0.0864 (6)
Cl60.59951 (16)0.70990 (11)0.22423 (7)0.0745 (5)
O10.8380 (4)0.5908 (2)0.75039 (13)0.0565 (11)
O20.9283 (3)0.4440 (2)0.74206 (14)0.0562 (11)
O30.8175 (3)0.7768 (3)0.10390 (13)0.0600 (11)
O40.8161 (4)0.8221 (2)0.01701 (14)0.0574 (11)
O50.8484 (5)0.4558 (4)0.9518 (3)0.125 (2)
O60.6679 (8)0.4579 (6)0.9172 (3)0.189 (4)
O70.6772 (6)0.4917 (4)0.9898 (2)0.123 (2)
O80.7074 (6)0.3609 (4)0.9687 (3)0.149 (3)
O90.5426 (11)0.6674 (7)0.1908 (4)0.171 (7)0.585 (16)
O9'0.6470 (14)0.7564 (8)0.2591 (5)0.176 (11)0.415 (16)
O100.7064 (6)0.6966 (7)0.2095 (3)0.228 (6)
O110.5589 (6)0.6615 (5)0.2575 (3)0.154 (3)
O120.5392 (8)0.7737 (5)0.2110 (3)0.200 (4)
N10.7889 (4)0.4650 (3)0.80578 (16)0.0504 (12)
N20.7098 (4)0.3764 (3)0.73632 (16)0.0513 (12)
H2A0.63040.38040.73880.062*
N30.7732 (5)0.5118 (3)0.67974 (16)0.0516 (12)
N40.6185 (4)0.5422 (3)0.74249 (16)0.0542 (13)
H4A0.63820.59400.74570.065*
N50.9055 (4)0.6878 (3)0.03368 (16)0.0503 (12)
N60.7001 (5)0.6829 (3)0.00923 (17)0.0618 (14)
H6A0.67780.63390.00040.074*
N70.6125 (4)0.7865 (4)0.06121 (16)0.0624 (15)
N80.6927 (5)0.6498 (4)0.0871 (2)0.0786 (18)
H8C0.70740.67010.11520.094*
C10.9010 (5)0.5792 (3)0.82862 (19)0.0516 (15)
C20.8864 (5)0.6208 (4)0.7870 (2)0.0502 (14)
C30.9229 (6)0.6990 (4)0.7863 (2)0.0613 (17)
H30.90900.72840.76020.074*
C40.9780 (7)0.7341 (4)0.8225 (3)0.075 (2)
H41.00090.78670.82100.090*
C50.9999 (6)0.6911 (4)0.8615 (2)0.0676 (19)
C60.9610 (5)0.6153 (4)0.8652 (2)0.0590 (16)
H60.97440.58760.89200.071*
C70.8517 (5)0.5029 (3)0.8351 (2)0.0521 (15)
H70.86640.47870.86300.063*
C80.7413 (6)0.3876 (4)0.8176 (2)0.0647 (18)
H8A0.65890.39220.82470.078*
H8B0.78390.36630.84370.078*
C90.7549 (6)0.3347 (4)0.7776 (2)0.0658 (18)
H9A0.83720.32130.77450.079*
H9B0.71100.28630.78180.079*
C100.7307 (6)0.3287 (4)0.6939 (2)0.0628 (17)
H100.80960.34150.68370.075*
C110.7254 (7)0.2398 (4)0.7016 (3)0.088 (2)
H11A0.65150.22630.71440.132*
H11B0.78860.22410.72190.132*
H11C0.73270.21290.67320.132*
C120.6428 (7)0.3501 (5)0.6560 (2)0.083 (2)
H12A0.56460.33770.66510.125*
H12B0.66020.32050.62930.125*
H12C0.64820.40550.64960.125*
C130.9726 (6)0.4746 (3)0.6651 (2)0.0527 (15)
C141.0022 (5)0.4475 (3)0.7094 (2)0.0501 (15)
C151.1165 (6)0.4215 (4)0.7180 (3)0.0663 (18)
H151.13650.40170.74660.080*
C161.2011 (7)0.4239 (4)0.6860 (3)0.077 (2)
H161.27690.40590.69290.093*
C171.1729 (7)0.4534 (5)0.6430 (3)0.079 (2)
C181.0594 (7)0.4768 (4)0.6328 (2)0.073 (2)
H181.04010.49450.60380.088*
C190.8602 (6)0.5053 (3)0.6534 (2)0.0587 (16)
H190.84810.52250.62370.070*
C200.6673 (6)0.5559 (4)0.6647 (2)0.0678 (19)
H20A0.64450.54090.63400.081*
H20B0.68380.61210.66510.081*
C210.5696 (6)0.5381 (4)0.6958 (2)0.0658 (18)
H21A0.50660.57630.69150.079*
H21B0.53800.48590.68960.079*
C220.5311 (5)0.5300 (4)0.7787 (2)0.0559 (16)
H220.53550.47490.78850.067*
C230.4036 (6)0.5482 (4)0.7642 (3)0.075 (2)
H23A0.35370.54080.78940.113*
H23B0.37920.51330.74010.113*
H23C0.39790.60180.75390.113*
C240.5653 (7)0.5820 (5)0.8189 (3)0.089 (2)
H24A0.63550.56170.83350.133*
H24B0.50260.58250.83990.133*
H24C0.57950.63480.80850.133*
C251.0232 (5)0.7612 (3)0.08803 (19)0.0467 (14)
C260.9295 (5)0.7853 (3)0.11443 (19)0.0503 (14)
C270.9584 (5)0.8200 (4)0.1567 (2)0.0561 (16)
H270.89890.83220.17650.067*
C281.0728 (6)0.8357 (4)0.1689 (2)0.0620 (18)
H281.08990.85810.19700.074*
C291.1627 (5)0.8194 (3)0.1409 (2)0.0520 (15)
C301.1399 (5)0.7801 (3)0.1013 (2)0.0498 (14)
H301.20150.76570.08310.060*
C311.0057 (5)0.7126 (3)0.04915 (19)0.0497 (14)
H311.07220.69750.03370.060*
C320.9001 (6)0.6368 (4)0.0061 (2)0.0626 (17)
H32A0.88340.58280.00260.075*
H32B0.97430.63770.02140.075*
C330.8032 (6)0.6684 (5)0.0363 (2)0.075 (2)
H33A0.82810.71710.05040.090*
H33B0.78390.63060.06010.090*
C340.5936 (7)0.7138 (4)0.0356 (2)0.073 (2)
H340.54160.73530.01290.088*
C350.6189 (10)0.7796 (6)0.0654 (4)0.148 (5)
H35A0.65860.76050.09140.223*
H35B0.66820.81700.04950.223*
H35C0.54650.80460.07490.223*
C360.5260 (7)0.6484 (5)0.0577 (3)0.100 (3)
H36A0.45840.66960.07380.149*
H36B0.50080.61210.03510.149*
H36C0.57510.62140.07850.149*
C370.6704 (6)0.9176 (4)0.0375 (2)0.0627 (18)
C380.7784 (6)0.8943 (4)0.0209 (2)0.0626 (18)
C390.8505 (7)0.9556 (5)0.0055 (3)0.090 (2)
H390.92430.94290.00510.108*
C400.8171 (9)1.0330 (5)0.0056 (3)0.104 (3)
H400.86721.07160.00520.125*
C410.7109 (10)1.0533 (5)0.0213 (3)0.094 (3)
C420.6367 (8)0.9979 (5)0.0371 (3)0.079 (2)
H420.56371.01270.04770.095*
C430.5942 (6)0.8620 (5)0.0549 (2)0.072 (2)
H430.52100.88080.06310.086*
C440.5278 (7)0.7370 (6)0.0835 (3)0.091 (3)
H44A0.51900.75500.11430.110*
H44B0.45180.74120.06780.110*
C450.5658 (7)0.6562 (6)0.0837 (3)0.097 (3)
H45A0.53730.63060.05620.117*
H45B0.53200.62910.10910.117*
C460.7536 (8)0.5713 (4)0.0913 (3)0.085 (2)
H460.78270.55580.06180.102*
C470.6747 (10)0.5062 (6)0.1088 (4)0.144 (5)
H47A0.71950.45850.11260.216*
H47B0.61050.49740.08750.216*
H47C0.64430.52170.13740.216*
C480.8562 (8)0.5792 (5)0.1245 (4)0.124 (4)
H48A0.82850.59710.15310.186*
H48B0.91130.61670.11320.186*
H48C0.89410.52890.12830.186*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0523 (5)0.0382 (4)0.0461 (5)0.0017 (4)0.0084 (4)0.0091 (3)
Co20.0404 (5)0.0725 (6)0.0438 (5)0.0059 (4)0.0021 (3)0.0071 (4)
Cl10.1258 (19)0.1247 (19)0.0787 (14)0.0667 (16)0.0084 (13)0.0163 (13)
Cl20.0968 (17)0.164 (2)0.1122 (19)0.0177 (16)0.0395 (15)0.0352 (17)
Cl30.0580 (11)0.0891 (13)0.0978 (14)0.0138 (9)0.0275 (10)0.0042 (11)
Cl40.182 (3)0.0854 (16)0.149 (2)0.0540 (17)0.061 (2)0.0251 (16)
Cl50.0759 (13)0.0715 (13)0.1123 (17)0.0065 (10)0.0126 (12)0.0282 (12)
Cl60.0586 (11)0.0661 (11)0.0983 (14)0.0022 (9)0.0046 (10)0.0115 (10)
O10.078 (3)0.040 (2)0.050 (2)0.009 (2)0.012 (2)0.0135 (19)
O20.050 (2)0.061 (3)0.057 (3)0.010 (2)0.009 (2)0.015 (2)
O30.036 (2)0.095 (3)0.049 (2)0.001 (2)0.0004 (18)0.021 (2)
O40.057 (3)0.059 (3)0.056 (3)0.005 (2)0.005 (2)0.005 (2)
O50.084 (4)0.105 (5)0.188 (7)0.010 (4)0.016 (4)0.014 (5)
O60.180 (7)0.241 (8)0.144 (6)0.007 (6)0.018 (5)0.010 (6)
O70.138 (5)0.101 (4)0.132 (5)0.013 (4)0.030 (4)0.033 (4)
O80.099 (5)0.077 (4)0.271 (10)0.002 (4)0.037 (5)0.016 (5)
O90.182 (10)0.161 (10)0.167 (10)0.074 (7)0.040 (7)0.021 (7)
O9'0.178 (13)0.166 (13)0.181 (13)0.020 (9)0.034 (9)0.036 (9)
O100.097 (6)0.333 (14)0.258 (11)0.089 (7)0.061 (7)0.121 (10)
O110.134 (5)0.165 (6)0.162 (6)0.002 (5)0.017 (5)0.058 (5)
O120.201 (7)0.170 (7)0.231 (8)0.089 (6)0.021 (6)0.067 (6)
N10.065 (3)0.034 (3)0.052 (3)0.004 (2)0.010 (2)0.015 (2)
N20.058 (3)0.042 (3)0.053 (3)0.002 (2)0.009 (2)0.005 (2)
N30.064 (3)0.048 (3)0.042 (3)0.003 (2)0.006 (3)0.008 (2)
N40.057 (3)0.050 (3)0.055 (3)0.006 (2)0.004 (2)0.005 (2)
N50.043 (3)0.061 (3)0.047 (3)0.001 (2)0.003 (2)0.007 (2)
N60.062 (3)0.067 (4)0.056 (3)0.004 (3)0.005 (3)0.012 (3)
N70.039 (3)0.106 (5)0.042 (3)0.013 (3)0.001 (2)0.010 (3)
N80.062 (4)0.093 (5)0.081 (4)0.015 (3)0.015 (3)0.025 (3)
C10.059 (4)0.046 (3)0.049 (4)0.005 (3)0.008 (3)0.005 (3)
C20.045 (3)0.053 (4)0.052 (4)0.002 (3)0.005 (3)0.008 (3)
C30.067 (4)0.053 (4)0.063 (4)0.015 (3)0.005 (3)0.012 (3)
C40.084 (5)0.058 (4)0.083 (5)0.020 (4)0.003 (4)0.002 (4)
C50.062 (4)0.075 (5)0.066 (5)0.024 (4)0.004 (3)0.011 (4)
C60.056 (4)0.069 (4)0.052 (4)0.009 (3)0.005 (3)0.000 (3)
C70.060 (4)0.053 (4)0.042 (3)0.005 (3)0.008 (3)0.011 (3)
C80.083 (5)0.056 (4)0.054 (4)0.006 (3)0.012 (3)0.024 (3)
C90.078 (5)0.042 (4)0.077 (5)0.004 (3)0.006 (4)0.011 (3)
C100.064 (4)0.052 (4)0.073 (5)0.002 (3)0.009 (4)0.008 (3)
C110.101 (6)0.050 (4)0.113 (7)0.004 (4)0.022 (5)0.019 (4)
C120.093 (6)0.089 (6)0.067 (5)0.004 (4)0.016 (4)0.020 (4)
C130.061 (4)0.043 (3)0.055 (4)0.002 (3)0.001 (3)0.009 (3)
C140.052 (4)0.036 (3)0.062 (4)0.002 (3)0.001 (3)0.009 (3)
C150.058 (4)0.058 (4)0.082 (5)0.000 (3)0.014 (4)0.002 (4)
C160.064 (5)0.070 (5)0.096 (6)0.012 (4)0.004 (4)0.017 (4)
C170.072 (5)0.084 (5)0.081 (6)0.009 (4)0.010 (4)0.030 (4)
C180.086 (5)0.079 (5)0.053 (4)0.018 (4)0.001 (4)0.009 (4)
C190.077 (5)0.049 (4)0.049 (4)0.007 (3)0.009 (3)0.004 (3)
C200.073 (5)0.081 (5)0.049 (4)0.025 (4)0.013 (3)0.012 (3)
C210.064 (4)0.076 (5)0.056 (4)0.019 (4)0.014 (3)0.001 (3)
C220.062 (4)0.047 (4)0.059 (4)0.000 (3)0.005 (3)0.009 (3)
C230.062 (4)0.083 (5)0.081 (5)0.001 (4)0.001 (4)0.007 (4)
C240.070 (5)0.117 (7)0.079 (5)0.007 (5)0.002 (4)0.022 (5)
C250.041 (3)0.050 (3)0.049 (3)0.012 (3)0.003 (3)0.005 (3)
C260.049 (4)0.057 (4)0.044 (3)0.005 (3)0.004 (3)0.003 (3)
C270.053 (4)0.063 (4)0.052 (4)0.009 (3)0.004 (3)0.011 (3)
C280.072 (5)0.060 (4)0.052 (4)0.009 (3)0.020 (3)0.014 (3)
C290.052 (4)0.045 (3)0.058 (4)0.002 (3)0.019 (3)0.001 (3)
C300.034 (3)0.051 (4)0.064 (4)0.002 (3)0.002 (3)0.000 (3)
C310.042 (3)0.058 (4)0.049 (3)0.006 (3)0.006 (3)0.007 (3)
C320.063 (4)0.076 (5)0.049 (4)0.004 (3)0.006 (3)0.021 (3)
C330.084 (5)0.092 (5)0.047 (4)0.002 (4)0.000 (4)0.019 (4)
C340.086 (5)0.070 (5)0.061 (4)0.017 (4)0.034 (4)0.018 (4)
C350.143 (9)0.143 (9)0.154 (10)0.053 (7)0.083 (8)0.084 (8)
C360.072 (5)0.119 (7)0.105 (7)0.001 (5)0.035 (5)0.010 (5)
C370.054 (4)0.079 (5)0.054 (4)0.002 (4)0.017 (3)0.009 (3)
C380.054 (4)0.076 (5)0.057 (4)0.009 (4)0.015 (3)0.014 (4)
C390.077 (5)0.064 (5)0.128 (7)0.007 (4)0.014 (5)0.005 (5)
C400.107 (8)0.073 (6)0.131 (8)0.006 (5)0.025 (6)0.002 (5)
C410.114 (8)0.072 (6)0.094 (6)0.022 (6)0.035 (6)0.013 (5)
C420.081 (5)0.088 (6)0.067 (5)0.032 (5)0.030 (4)0.024 (4)
C430.059 (4)0.101 (6)0.055 (4)0.032 (4)0.024 (3)0.031 (4)
C440.053 (5)0.134 (8)0.087 (6)0.001 (5)0.001 (4)0.012 (5)
C450.068 (5)0.114 (7)0.113 (7)0.029 (5)0.031 (5)0.007 (6)
C460.111 (7)0.069 (5)0.076 (5)0.034 (5)0.035 (5)0.019 (4)
C470.185 (12)0.118 (8)0.127 (9)0.077 (8)0.018 (8)0.029 (7)
C480.088 (6)0.079 (6)0.202 (11)0.005 (5)0.015 (7)0.062 (7)
Geometric parameters (Å, º) top
Co1—O11.891 (4)C13—C191.412 (9)
Co1—O21.884 (4)C13—C141.418 (8)
Co1—N11.903 (5)C14—C151.388 (8)
Co1—N22.041 (5)C15—C161.371 (10)
Co1—N31.907 (5)C15—H150.93
Co1—N42.012 (5)C16—C171.392 (10)
Co2—O31.887 (4)C16—H160.93
Co2—O41.886 (4)C17—C181.373 (10)
Co2—N51.905 (5)C18—H180.93
Co2—N62.016 (5)C19—H190.93
Co2—N71.933 (6)C20—C211.494 (9)
Co2—N81.988 (6)C20—H20A0.97
Cl1—C51.751 (6)C20—H20B0.97
Cl2—C171.744 (8)C21—H21A0.97
Cl3—C291.729 (6)C21—H21B0.97
Cl4—C411.755 (9)C22—C241.520 (9)
Cl5—O81.367 (7)C22—C231.529 (8)
Cl5—O71.389 (6)C22—H220.98
Cl5—O51.409 (6)C23—H23A0.96
Cl5—O61.487 (9)C23—H23B0.96
Cl6—O101.322 (7)C23—H23C0.96
Cl6—O121.333 (7)C24—H24A0.96
Cl6—O91.370 (10)C24—H24B0.96
Cl6—O111.373 (6)C24—H24C0.96
Cl6—O9'1.392 (12)C25—C261.401 (8)
O1—C21.302 (6)C25—C301.408 (7)
O2—C141.301 (7)C25—C311.424 (8)
O3—C261.308 (7)C26—C271.410 (8)
O4—C381.303 (7)C27—C281.364 (8)
N1—C71.279 (7)C27—H270.93
N1—C81.465 (7)C28—C291.363 (9)
N2—C91.488 (7)C28—H280.93
N2—C101.518 (8)C29—C301.364 (8)
N2—H2A0.91C30—H300.93
N3—C191.283 (8)C31—H310.93
N3—C201.473 (7)C32—C331.496 (9)
N4—C211.474 (7)C32—H32A0.97
N4—C221.497 (8)C32—H32B0.97
N4—H4A0.91C33—H33A0.97
N5—C311.283 (7)C33—H33B0.97
N5—C321.460 (7)C34—C351.455 (11)
N6—C331.460 (8)C34—C361.488 (10)
N6—C341.512 (8)C34—H340.98
N6—H6A0.91C35—H35A0.96
N7—C431.309 (9)C35—H35B0.96
N7—C441.451 (9)C35—H35C0.96
N8—C451.446 (9)C36—H36A0.96
N8—C461.504 (10)C36—H36B0.96
N8—H8C0.91C36—H36C0.96
C1—C61.401 (8)C37—C431.389 (10)
C1—C21.423 (8)C37—C381.393 (9)
C1—C71.426 (8)C37—C421.415 (10)
C2—C31.390 (8)C38—C391.407 (10)
C3—C41.360 (9)C39—C401.366 (11)
C3—H30.93C39—H390.93
C4—C51.380 (9)C40—C411.351 (12)
C4—H40.93C40—H400.93
C5—C61.364 (9)C41—C421.355 (12)
C6—H60.93C42—H420.93
C7—H70.93C43—H430.93
C8—C91.494 (9)C44—C451.436 (11)
C8—H8A0.97C44—H44A0.97
C8—H8B0.97C44—H44B0.97
C9—H9A0.97C45—H45A0.97
C9—H9B0.97C45—H45B0.97
C10—C121.521 (9)C46—C481.505 (11)
C10—C111.527 (9)C46—C471.522 (11)
C10—H100.98C46—H460.98
C11—H11A0.96C47—H47A0.96
C11—H11B0.96C47—H47B0.96
C11—H11C0.96C47—H47C0.96
C12—H12A0.96C48—H48A0.96
C12—H12B0.96C48—H48B0.96
C12—H12C0.96C48—H48C0.96
C13—C181.394 (9)
O2—Co1—O191.53 (18)C14—C15—H15118.8
O2—Co1—N183.61 (19)C15—C16—C17119.6 (7)
O1—Co1—N193.19 (18)C15—C16—H16120.2
O2—Co1—N393.4 (2)C17—C16—H16120.2
O1—Co1—N385.11 (19)C18—C17—C16119.5 (7)
N1—Co1—N3176.5 (2)C18—C17—Cl2121.8 (7)
O2—Co1—N4175.9 (2)C16—C17—Cl2118.7 (6)
O1—Co1—N484.67 (19)C17—C18—C13121.5 (7)
N1—Co1—N498.0 (2)C17—C18—H18119.3
N3—Co1—N484.9 (2)C13—C18—H18119.3
O2—Co1—N288.23 (19)N3—C19—C13126.3 (6)
O1—Co1—N2178.57 (18)N3—C19—H19116.9
N1—Co1—N285.38 (19)C13—C19—H19116.9
N3—Co1—N296.3 (2)N3—C20—C21109.2 (5)
N4—Co1—N295.6 (2)N3—C20—H20A109.8
O4—Co2—O390.54 (19)C21—C20—H20A109.8
O4—Co2—N583.9 (2)N3—C20—H20B109.8
O3—Co2—N594.23 (18)C21—C20—H20B109.8
O4—Co2—N792.5 (2)H20A—C20—H20B108.3
O3—Co2—N786.55 (19)N4—C21—C20107.5 (5)
N5—Co2—N7176.3 (2)N4—C21—H21A110.2
O4—Co2—N8173.7 (2)C20—C21—H21A110.2
O3—Co2—N884.9 (2)N4—C21—H21B110.2
N5—Co2—N8100.8 (2)C20—C21—H21B110.2
N7—Co2—N882.9 (3)H21A—C21—H21B108.5
O4—Co2—N691.6 (2)N4—C22—C24108.7 (5)
O3—Co2—N6177.0 (2)N4—C22—C23114.6 (5)
N5—Co2—N683.9 (2)C24—C22—C23108.6 (6)
N7—Co2—N695.5 (2)N4—C22—H22108.3
N8—Co2—N693.1 (2)C24—C22—H22108.3
O8—Cl5—O7115.6 (5)C23—C22—H22108.3
O8—Cl5—O5114.6 (4)C22—C23—H23A109.5
O7—Cl5—O5114.7 (4)C22—C23—H23B109.5
O8—Cl5—O6105.7 (6)H23A—C23—H23B109.5
O7—Cl5—O6101.0 (5)C22—C23—H23C109.5
O5—Cl5—O6102.8 (5)H23A—C23—H23C109.5
O10—Cl6—O12120.7 (6)H23B—C23—H23C109.5
O10—Cl6—O995.2 (7)C22—C24—H24A109.5
O12—Cl6—O989.3 (6)C22—C24—H24B109.5
O10—Cl6—O11117.9 (5)H24A—C24—H24B109.5
O12—Cl6—O11121.0 (5)C22—C24—H24C109.5
O9—Cl6—O1192.4 (6)H24A—C24—H24C109.5
O10—Cl6—O9'90.1 (7)H24B—C24—H24C109.5
O12—Cl6—O9'86.7 (6)C26—C25—C30120.3 (5)
O9—Cl6—O9'174.5 (8)C26—C25—C31122.0 (5)
O11—Cl6—O9'86.5 (7)C30—C25—C31117.6 (5)
C2—O1—Co1127.2 (3)O3—C26—C25125.9 (5)
C14—O2—Co1127.2 (4)O3—C26—C27117.0 (5)
C26—O3—Co2124.1 (4)C25—C26—C27117.1 (5)
C38—O4—Co2125.5 (4)C28—C27—C26120.5 (6)
C7—N1—C8119.4 (5)C28—C27—H27119.7
C7—N1—Co1125.8 (4)C26—C27—H27119.7
C8—N1—Co1113.4 (4)C29—C28—C27121.8 (6)
C9—N2—C10111.5 (5)C29—C28—H28119.1
C9—N2—Co1104.3 (3)C27—C28—H28119.1
C10—N2—Co1120.3 (4)C28—C29—C30119.6 (6)
C9—N2—H2A106.7C28—C29—Cl3120.9 (5)
C10—N2—H2A106.7C30—C29—Cl3119.3 (5)
Co1—N2—H2A106.7C29—C30—C25120.1 (6)
C19—N3—C20119.9 (5)C29—C30—H30119.9
C19—N3—Co1125.9 (4)C25—C30—H30119.9
C20—N3—Co1113.0 (4)N5—C31—C25125.2 (5)
C21—N4—C22115.1 (5)N5—C31—H31117.4
C21—N4—Co1107.0 (4)C25—C31—H31117.4
C22—N4—Co1123.0 (4)N5—C32—C33106.3 (5)
C21—N4—H4A103.0N5—C32—H32A110.5
C22—N4—H4A103.0C33—C32—H32A110.5
Co1—N4—H4A103.0N5—C32—H32B110.5
C31—N5—C32119.7 (5)C33—C32—H32B110.5
C31—N5—Co2123.6 (4)H32A—C32—H32B108.7
C32—N5—Co2114.6 (4)N6—C33—C32108.7 (5)
C33—N6—C34114.7 (5)N6—C33—H33A110.0
C33—N6—Co2106.7 (4)C32—C33—H33A110.0
C34—N6—Co2121.9 (4)N6—C33—H33B110.0
C33—N6—H6A103.8C32—C33—H33B110.0
C34—N6—H6A103.8H33A—C33—H33B108.3
Co2—N6—H6A103.8C35—C34—C36114.5 (7)
C43—N7—C44121.7 (7)C35—C34—N6114.0 (7)
C43—N7—Co2123.8 (5)C36—C34—N6111.3 (6)
C44—N7—Co2114.2 (5)C35—C34—H34105.3
C45—N8—C46121.8 (6)C36—C34—H34105.3
C45—N8—Co2107.6 (5)N6—C34—H34105.3
C46—N8—Co2120.2 (5)C34—C35—H35A109.5
C45—N8—H8C100.8C34—C35—H35B109.5
C46—N8—H8C100.8H35A—C35—H35B109.5
Co2—N8—H8C100.8C34—C35—H35C109.5
C6—C1—C2119.5 (5)H35A—C35—H35C109.5
C6—C1—C7118.4 (5)H35B—C35—H35C109.5
C2—C1—C7122.1 (5)C34—C36—H36A109.5
O1—C2—C3118.6 (5)C34—C36—H36B109.5
O1—C2—C1124.1 (5)H36A—C36—H36B109.5
C3—C2—C1117.3 (5)C34—C36—H36C109.5
C4—C3—C2122.4 (6)H36A—C36—H36C109.5
C4—C3—H3118.8H36B—C36—H36C109.5
C2—C3—H3118.8C43—C37—C38120.4 (7)
C3—C4—C5119.5 (6)C43—C37—C42118.9 (7)
C3—C4—H4120.2C38—C37—C42120.7 (8)
C5—C4—H4120.2O4—C38—C37126.3 (7)
C6—C5—C4120.9 (6)O4—C38—C39118.0 (6)
C6—C5—Cl1120.5 (6)C37—C38—C39115.7 (7)
C4—C5—Cl1118.6 (5)C40—C39—C38122.9 (9)
C5—C6—C1120.0 (6)C40—C39—H39118.5
C5—C6—H6120.0C38—C39—H39118.5
C1—C6—H6120.0C41—C40—C39119.8 (9)
N1—C7—C1125.3 (5)C41—C40—H40120.1
N1—C7—H7117.4C39—C40—H40120.1
C1—C7—H7117.4C40—C41—C42120.9 (8)
N1—C8—C9107.6 (5)C40—C41—Cl4119.2 (9)
N1—C8—H8A110.2C42—C41—Cl4119.8 (8)
C9—C8—H8A110.2C41—C42—C37119.9 (8)
N1—C8—H8B110.2C41—C42—H42120.0
C9—C8—H8B110.2C37—C42—H42120.0
H8A—C8—H8B108.5N7—C43—C37128.1 (7)
N2—C9—C8108.8 (5)N7—C43—H43115.9
N2—C9—H9A109.9C37—C43—H43115.9
C8—C9—H9A109.9C45—C44—N7110.5 (7)
N2—C9—H9B109.9C45—C44—H44A109.6
C8—C9—H9B109.9N7—C44—H44A109.6
H9A—C9—H9B108.3C45—C44—H44B109.6
N2—C10—C12111.5 (5)N7—C44—H44B109.6
N2—C10—C11113.3 (6)H44A—C44—H44B108.1
C12—C10—C11108.5 (6)C44—C45—N8111.8 (7)
N2—C10—H10107.8C44—C45—H45A109.3
C12—C10—H10107.8N8—C45—H45A109.3
C11—C10—H10107.8C44—C45—H45B109.3
C10—C11—H11A109.5N8—C45—H45B109.3
C10—C11—H11B109.5H45A—C45—H45B107.9
H11A—C11—H11B109.5N8—C46—C48108.6 (6)
C10—C11—H11C109.5N8—C46—C47113.3 (8)
H11A—C11—H11C109.5C48—C46—C47107.3 (8)
H11B—C11—H11C109.5N8—C46—H46109.2
C10—C12—H12A109.5C48—C46—H46109.2
C10—C12—H12B109.5C47—C46—H46109.2
H12A—C12—H12B109.5C46—C47—H47A109.5
C10—C12—H12C109.5C46—C47—H47B109.5
H12A—C12—H12C109.5H47A—C47—H47B109.5
H12B—C12—H12C109.5C46—C47—H47C109.5
C18—C13—C19118.5 (6)H47A—C47—H47C109.5
C18—C13—C14119.2 (6)H47B—C47—H47C109.5
C19—C13—C14122.1 (6)C46—C48—H48A109.5
O2—C14—C15118.1 (6)C46—C48—H48B109.5
O2—C14—C13124.1 (5)H48A—C48—H48B109.5
C15—C14—C13117.8 (6)C46—C48—H48C109.5
C16—C15—C14122.4 (7)H48A—C48—H48C109.5
C16—C15—H15118.8H48B—C48—H48C109.5
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···O11i0.912.273.130 (9)157
N4—H4A···O9ii0.912.573.464 (16)168
N6—H6A···O7iii0.912.433.253 (8)151
C8—H8A···O9i0.972.533.359 (14)143
C21—H21A···Cl3iv0.972.833.768 (7)163
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y+3/2, z+1/2; (iii) x, y, z1; (iv) x1, y+3/2, z+1/2.
 

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