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bh2161 scheme

Acta Cryst. (2008). E64, m710-m711    [ doi:10.1107/S1600536808010738 ]

Poly[di-[mu]5-adipato-[kappa]4O:O':O'':O''',O'''-[mu]4-adipato-[kappa]4O:O':O'':O'''-bis[2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene-[kappa]2N7,N8]tricobalt(II)]

M.-L. Xu, R. Zhou, G.-Y. Wang and S. W. Ng

Abstract top

In the title polymer, [Co3(C6H8O4)3(C19H12N4)2]n, two adipate dianions (C6H8O42-) occupy general positions and two are situated on different inversion centres. The two on general positions bind through their four O atoms to five 2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene-chelated CoII ions, whereas the two on special positions bind to only four. Of the three Co atoms, two are chelated by N-heterocycles; the third is bonded to six O atoms. The bonding mode of the dianion gives rise to a three-dimensional network structure; the network is further consolidated by N-H...O hydrogen bonds.

Comment top

The 4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol N-heterocycle furnishes adducts with metal dicarboxylates,i.e. the manganese phthalate adduct (Wang et al., 2006b), manganese isophthalate adduct (Che, 2006b), manganese terephthalate adduct (Che et al., 2006), the zinc naphthalene-1,4-dicarboxylate adduct (Wang, Yu, Meng et al., 2006), and the zinc terephthalate adduct (Che, 2006a).

Related literature top

There are several studies of 4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol transition metal dicarboxylate compounds. See, for example: Che (2006a,b); Che et al. (2006); Wang, Yu, Meng et al. (2006); Wang, Yu, Zhao et al. (2006).

Experimental top

Cobalt(II) acetate (0.1 mmol), adipic acid, 4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol (0.1 mmol) and water (12 ml) were heated in a 23 ml, Teflon-lined, stainless-steel Parr bomb at 408 K for 2 days. Crystals were obtained in 40% yield.

Refinement top

The carbon- and nitrogen-bound H atoms were placed in calculated positions [C—H 0.93 (aromatic CH) or 0.97 Å (methylene CH2); N—H 0.86 Å, and Uiso(H) = 1.2Ueq(carrier C,N)], and were included in the refinement in the riding-model approximation.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot of a portion of polymeric Co3(C19H12N4)2(C6H8O4)3; displacement ellipsoids are drawn at the 50% probability level, and H atoms as spheres of arbitrary radii. Symmetry codes are given in Table 1.
Poly[di-µ5-adipato-κ4O:O':O'':O''', O'''-µ4-adipato-κ4O:O':O'':O'''- bis[2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene- κ2N7,N8]tricobalt(II)] top
Crystal data top
[Co3(C6H8O4)3(C19H12N4)2]Z = 2
Mr = 1201.81F000 = 1234
Triclinic, P1Dx = 1.618 Mg m−3
Hall symbol: -P 1Mo Kα radiation
λ = 0.71073 Å
a = 8.150 (4) ÅCell parameters from 12081 reflections
b = 15.896 (8) Åθ = 3.0–27.5º
c = 20.474 (9) ŵ = 1.07 mm−1
α = 69.48 (2)ºT = 295 (2) K
β = 83.23 (2)ºBlock, brown
γ = 87.34 (2)º0.11 × 0.10 × 0.09 mm
V = 2467 (2) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer		10947 independent reflections
Radiation source: fine-focus sealed tube5288 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.094
Detector resolution: 10 pixels mm-1θmax = 27.5º
T = 295(2) Kθmin = 3.0º
ω scansh = −10→10
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		k = −20→20
Tmin = 0.632, Tmax = 0.910l = −26→26
23585 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)] = 0.067H-atom parameters constrained
wR(F2) = 0.179  w = 1/[σ2(Fo2) + (0.0677P)2 + 0.2367P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max = 0.001
10947 reflectionsΔρmax = 0.64 e Å−3
712 parametersΔρmin = −0.59 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Co3(C6H8O4)3(C19H12N4)2]γ = 87.34 (2)º
Mr = 1201.81V = 2467 (2) Å3
Triclinic, P1Z = 2
a = 8.150 (4) ÅMo Kα
b = 15.896 (8) ŵ = 1.07 mm−1
c = 20.474 (9) ÅT = 295 (2) K
α = 69.48 (2)º0.11 × 0.10 × 0.09 mm
β = 83.23 (2)º
Data collection top
Rigaku R-AXIS RAPID
diffractometer		10947 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)		5288 reflections with I > 2σ(I)
Tmin = 0.632, Tmax = 0.910Rint = 0.094
23585 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.067712 parameters
wR(F2) = 0.179H-atom parameters constrained
S = 1.02Δρmax = 0.64 e Å−3
10947 reflectionsΔρmin = −0.59 e Å−3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.65991 (10)0.83605 (6)0.38528 (4)0.0322 (2)
Co20.73442 (10)0.73830 (5)0.25912 (4)0.02684 (19)
Co30.81551 (9)0.64935 (5)0.12644 (4)0.0297 (2)
O10.7209 (5)0.7077 (3)0.4380 (2)0.0448 (11)
O20.6863 (5)0.6431 (3)0.35964 (19)0.0392 (11)
O30.8855 (5)0.8859 (3)0.3400 (2)0.0440 (11)
O40.9352 (5)0.7868 (3)0.2850 (2)0.0405 (11)
O51.5779 (4)0.8357 (3)0.28902 (17)0.0300 (9)
O61.5515 (5)0.9617 (3)0.3092 (2)0.0407 (11)
O70.7836 (5)0.8353 (3)0.16135 (18)0.0381 (10)
O80.7492 (5)0.7790 (3)0.07753 (19)0.0384 (10)
O90.5385 (5)0.6889 (3)0.2308 (2)0.0369 (10)
O100.5899 (5)0.5970 (3)0.1704 (2)0.0387 (10)
O11−0.1084 (4)0.6433 (3)0.22552 (18)0.0308 (9)
O12−0.0707 (5)0.5232 (3)0.1982 (2)0.0380 (10)
N10.6627 (6)0.8841 (3)0.4684 (2)0.0308 (11)
N20.4137 (6)0.8036 (3)0.4390 (2)0.0328 (12)
N30.2967 (6)0.8937 (3)0.6757 (2)0.0353 (12)
H3N0.35090.91850.69770.042*
N40.0891 (6)0.8240 (3)0.6515 (2)0.0376 (13)
N50.8226 (5)0.6114 (3)0.0378 (2)0.0297 (11)
N61.0624 (6)0.6873 (3)0.0749 (2)0.0302 (11)
N71.2030 (6)0.6180 (3)−0.1701 (2)0.0344 (12)
H7N1.15140.5949−0.19390.041*
N81.4042 (6)0.6844 (3)−0.1400 (2)0.0366 (13)
C10.7076 (7)0.6401 (4)0.4194 (3)0.0352 (15)
C20.7213 (8)0.5488 (4)0.4747 (3)0.0472 (18)
H2A0.82120.51990.46190.057*
H2B0.73350.55660.51880.057*
C30.5812 (9)0.4880 (5)0.4860 (4)0.063 (2)
H3A0.56870.48160.44140.076*
H3B0.61120.42930.51760.076*
C40.9721 (7)0.8537 (4)0.2988 (3)0.0341 (14)
C51.1306 (8)0.9023 (6)0.2622 (4)0.070 (3)
H5A1.10230.96410.23660.084*
H5B1.19760.90320.29810.084*
C61.2297 (10)0.8697 (7)0.2155 (4)0.094 (4)
H6A1.15630.86150.18430.113*
H6B1.26480.81000.24340.113*
C71.3780 (7)0.9137 (4)0.1705 (3)0.0381 (15)
H7A1.34360.95390.12640.046*
H7B1.44780.86780.16010.046*
C81.4824 (7)0.9668 (4)0.1990 (3)0.0355 (14)
H8A1.57930.98810.16560.043*
H8B1.41931.01920.20110.043*
C91.5386 (6)0.9193 (4)0.2688 (3)0.0274 (13)
C100.7904 (7)0.9207 (4)0.4835 (3)0.0362 (15)
H100.88790.92920.45340.043*
C110.7861 (7)0.9467 (4)0.5417 (3)0.0369 (15)
H110.87920.97120.55020.044*
C120.6438 (7)0.9360 (4)0.5862 (3)0.0354 (14)
H120.63850.95330.62530.042*
C130.5047 (7)0.8983 (4)0.5718 (3)0.0298 (13)
C140.5209 (7)0.8710 (4)0.5128 (3)0.0281 (13)
C150.3495 (7)0.8799 (4)0.6141 (3)0.0328 (14)
C160.1398 (7)0.8599 (4)0.6950 (3)0.0366 (15)
C170.0455 (8)0.8572 (4)0.7621 (3)0.0393 (16)
C180.1196 (9)0.8753 (4)0.8142 (3)0.0462 (17)
H180.22950.89310.80640.055*
C190.0269 (11)0.8664 (5)0.8771 (3)0.057 (2)
H190.07420.87940.91170.068*
C20−0.1355 (11)0.8385 (5)0.8894 (4)0.061 (2)
H20−0.19460.83060.93280.073*
C21−0.2119 (9)0.8221 (5)0.8379 (4)0.057 (2)
H21−0.32220.80510.84580.068*
C22−0.1186 (8)0.8319 (5)0.7742 (3)0.0472 (18)
H22−0.16760.82120.73910.057*
C230.2206 (7)0.8376 (4)0.5996 (3)0.0293 (13)
C240.2344 (7)0.8094 (4)0.5404 (3)0.0335 (14)
C250.3856 (7)0.8275 (4)0.4970 (3)0.0290 (13)
C260.1144 (7)0.7657 (4)0.5222 (3)0.0394 (16)
H260.01270.75270.54930.047*
C270.1462 (8)0.7416 (5)0.4638 (3)0.0464 (17)
H270.06670.71180.45120.056*
C280.2976 (7)0.7620 (5)0.4240 (3)0.0407 (16)
H280.31770.74530.38450.049*
C290.7730 (7)0.8424 (4)0.1000 (3)0.0294 (13)
C300.7970 (8)0.9353 (4)0.0440 (3)0.0417 (16)
H30A0.75500.93650.00130.050*
H30B0.73700.97990.06000.050*
C310.9788 (8)0.9563 (4)0.0300 (3)0.0414 (16)
H31A1.03800.90750.01930.050*
H31B1.01670.95930.07220.050*
C320.5034 (7)0.6247 (4)0.2143 (3)0.0348 (14)
C330.3462 (7)0.5743 (5)0.2488 (3)0.0474 (18)
H33A0.28110.57360.21220.057*
H33B0.37480.51260.27450.057*
C340.2435 (9)0.6090 (6)0.2963 (4)0.081 (3)
H34A0.20780.66830.26800.097*
H34B0.31620.61780.32750.097*
C350.0948 (7)0.5637 (5)0.3412 (3)0.0441 (17)
H35A0.02450.60900.35220.053*
H35B0.12960.52290.38510.053*
C36−0.0088 (7)0.5111 (4)0.3121 (3)0.0402 (16)
H36A0.05480.45940.30870.048*
H36B−0.10560.48880.34530.048*
C37−0.0648 (6)0.5623 (4)0.2419 (3)0.0302 (13)
C380.6984 (7)0.5767 (4)0.0194 (3)0.0381 (15)
H380.59970.56620.04870.046*
C390.7067 (7)0.5549 (4)−0.0414 (3)0.0419 (16)
H390.61560.5314−0.05240.050*
C400.8518 (7)0.5691 (4)−0.0841 (3)0.0356 (15)
H400.86120.5543−0.12460.043*
C410.9874 (7)0.6060 (4)−0.0672 (3)0.0320 (14)
C420.9655 (7)0.6271 (4)−0.0055 (3)0.0294 (13)
C431.1452 (7)0.6283 (4)−0.1076 (3)0.0310 (14)
C441.3593 (7)0.6522 (4)−0.1866 (3)0.0346 (14)
C451.4589 (7)0.6573 (4)−0.2526 (3)0.0327 (14)
C461.3919 (8)0.6420 (4)−0.3071 (3)0.0413 (16)
H461.28160.6260−0.30220.050*
C471.4920 (9)0.6507 (4)−0.3684 (3)0.0444 (17)
H471.44880.6396−0.40460.053*
C481.6558 (9)0.6759 (4)−0.3768 (3)0.0481 (18)
H481.72020.6832−0.41910.058*
C491.7243 (9)0.6902 (4)−0.3233 (3)0.0490 (18)
H491.83480.7059−0.32850.059*
C501.6238 (8)0.6806 (4)−0.2610 (3)0.0407 (16)
H501.66850.6900−0.22440.049*
C511.2684 (7)0.6692 (4)−0.0897 (3)0.0315 (13)
C521.2497 (6)0.6902 (4)−0.0268 (3)0.0283 (13)
C531.0969 (6)0.6689 (4)0.0145 (3)0.0269 (13)
C541.3660 (7)0.7308 (4)−0.0048 (3)0.0398 (15)
H541.46860.7455−0.03090.048*
C551.3313 (8)0.7499 (4)0.0560 (3)0.0442 (17)
H551.40900.77790.07120.053*
C561.1771 (8)0.7264 (4)0.0940 (3)0.0389 (16)
H561.15400.73910.13520.047*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0322 (4)0.0377 (5)0.0308 (4)−0.0075 (4)0.0032 (4)−0.0184 (3)
Co20.0291 (4)0.0251 (4)0.0276 (4)−0.0082 (3)0.0040 (3)−0.0120 (3)
Co30.0310 (4)0.0309 (5)0.0303 (4)−0.0079 (3)0.0022 (3)−0.0154 (3)
O10.054 (3)0.046 (3)0.036 (2)−0.004 (2)0.001 (2)−0.018 (2)
O20.049 (3)0.032 (2)0.032 (2)−0.012 (2)0.003 (2)−0.0064 (17)
O30.042 (2)0.053 (3)0.044 (2)−0.015 (2)0.009 (2)−0.028 (2)
O40.034 (2)0.034 (2)0.059 (3)−0.0096 (19)0.002 (2)−0.024 (2)
O50.031 (2)0.033 (2)0.0305 (19)0.0015 (18)−0.0002 (17)−0.0170 (17)
O60.044 (3)0.041 (3)0.045 (2)−0.007 (2)−0.002 (2)−0.025 (2)
O70.054 (3)0.029 (2)0.028 (2)−0.012 (2)0.006 (2)−0.0069 (16)
O80.049 (3)0.034 (2)0.034 (2)−0.008 (2)0.002 (2)−0.0162 (18)
O90.029 (2)0.040 (3)0.050 (2)−0.0129 (19)0.0017 (19)−0.027 (2)
O100.032 (2)0.046 (3)0.045 (2)−0.008 (2)0.009 (2)−0.027 (2)
O110.033 (2)0.027 (2)0.036 (2)0.0007 (18)−0.0002 (18)−0.0174 (17)
O120.042 (2)0.033 (2)0.046 (2)−0.004 (2)−0.002 (2)−0.0233 (19)
N10.030 (3)0.035 (3)0.028 (2)−0.009 (2)−0.001 (2)−0.012 (2)
N20.029 (3)0.040 (3)0.034 (2)−0.008 (2)−0.001 (2)−0.019 (2)
N30.034 (3)0.045 (3)0.037 (3)−0.005 (2)−0.002 (2)−0.026 (2)
N40.033 (3)0.044 (3)0.040 (3)−0.010 (2)0.004 (2)−0.021 (2)
N50.027 (2)0.028 (3)0.033 (2)−0.006 (2)−0.001 (2)−0.010 (2)
N60.032 (3)0.031 (3)0.030 (2)−0.007 (2)−0.006 (2)−0.012 (2)
N70.039 (3)0.040 (3)0.031 (2)−0.007 (2)0.001 (2)−0.021 (2)
N80.036 (3)0.036 (3)0.040 (3)−0.010 (2)0.007 (2)−0.018 (2)
C10.028 (3)0.040 (4)0.032 (3)−0.007 (3)0.004 (3)−0.007 (3)
C20.052 (4)0.045 (4)0.033 (3)−0.007 (3)−0.002 (3)0.002 (3)
C30.057 (5)0.038 (4)0.076 (5)−0.005 (4)−0.002 (4)0.003 (4)
C40.024 (3)0.048 (4)0.035 (3)−0.008 (3)−0.001 (3)−0.020 (3)
C50.047 (4)0.106 (7)0.084 (5)−0.037 (4)0.029 (4)−0.072 (5)
C60.067 (5)0.163 (10)0.084 (6)−0.072 (6)0.039 (5)−0.088 (6)
C70.028 (3)0.058 (4)0.034 (3)−0.005 (3)−0.006 (3)−0.021 (3)
C80.031 (3)0.036 (4)0.037 (3)−0.005 (3)−0.003 (3)−0.009 (3)
C90.025 (3)0.029 (3)0.027 (3)−0.007 (2)0.007 (2)−0.012 (2)
C100.025 (3)0.048 (4)0.043 (3)−0.003 (3)−0.004 (3)−0.024 (3)
C110.029 (3)0.042 (4)0.045 (3)−0.004 (3)−0.006 (3)−0.021 (3)
C120.045 (4)0.029 (3)0.037 (3)−0.002 (3)−0.011 (3)−0.015 (3)
C130.036 (3)0.024 (3)0.032 (3)−0.002 (3)−0.003 (3)−0.014 (2)
C140.030 (3)0.027 (3)0.031 (3)−0.002 (2)−0.004 (3)−0.014 (2)
C150.034 (3)0.036 (3)0.032 (3)−0.001 (3)0.000 (3)−0.018 (3)
C160.039 (3)0.034 (4)0.038 (3)−0.003 (3)0.008 (3)−0.018 (3)
C170.050 (4)0.034 (4)0.034 (3)−0.004 (3)0.012 (3)−0.017 (3)
C180.057 (4)0.044 (4)0.038 (3)0.001 (3)−0.003 (3)−0.017 (3)
C190.099 (6)0.052 (5)0.027 (3)0.021 (4)−0.009 (4)−0.023 (3)
C200.087 (6)0.043 (4)0.042 (4)0.007 (4)0.021 (4)−0.012 (3)
C210.058 (5)0.059 (5)0.053 (4)−0.011 (4)0.018 (4)−0.025 (4)
C220.049 (4)0.059 (5)0.038 (3)−0.012 (3)0.013 (3)−0.026 (3)
C230.029 (3)0.027 (3)0.031 (3)−0.001 (2)0.002 (3)−0.010 (2)
C240.030 (3)0.041 (4)0.031 (3)0.002 (3)−0.002 (3)−0.016 (3)
C250.031 (3)0.034 (3)0.025 (3)−0.003 (3)−0.002 (3)−0.013 (2)
C260.031 (3)0.051 (4)0.044 (3)−0.014 (3)−0.001 (3)−0.026 (3)
C270.040 (4)0.060 (5)0.052 (4)−0.014 (3)−0.001 (3)−0.035 (3)
C280.030 (3)0.062 (5)0.038 (3)−0.011 (3)0.000 (3)−0.028 (3)
C290.025 (3)0.028 (3)0.029 (3)0.003 (2)0.002 (3)−0.005 (2)
C300.050 (4)0.036 (4)0.037 (3)−0.006 (3)−0.001 (3)−0.009 (3)
C310.052 (4)0.034 (4)0.031 (3)−0.015 (3)0.011 (3)−0.006 (3)
C320.033 (3)0.029 (3)0.039 (3)−0.005 (3)−0.001 (3)−0.009 (3)
C330.037 (4)0.050 (4)0.059 (4)−0.021 (3)0.013 (3)−0.027 (3)
C340.059 (5)0.122 (8)0.095 (6)−0.047 (5)0.032 (5)−0.085 (6)
C350.023 (3)0.068 (5)0.037 (3)−0.001 (3)0.002 (3)−0.015 (3)
C360.031 (3)0.039 (4)0.044 (3)−0.009 (3)−0.005 (3)−0.005 (3)
C370.018 (3)0.034 (3)0.038 (3)−0.006 (2)0.004 (3)−0.014 (3)
C380.037 (3)0.041 (4)0.044 (3)−0.011 (3)0.003 (3)−0.025 (3)
C390.035 (3)0.053 (4)0.045 (3)−0.014 (3)−0.001 (3)−0.026 (3)
C400.035 (3)0.036 (4)0.040 (3)−0.007 (3)−0.002 (3)−0.019 (3)
C410.032 (3)0.031 (3)0.036 (3)−0.004 (3)0.002 (3)−0.017 (3)
C420.027 (3)0.029 (3)0.033 (3)−0.007 (2)0.001 (3)−0.012 (2)
C430.035 (3)0.029 (3)0.030 (3)−0.004 (3)0.002 (3)−0.013 (2)
C440.034 (3)0.034 (3)0.035 (3)−0.009 (3)0.005 (3)−0.013 (3)
C450.041 (3)0.026 (3)0.032 (3)−0.002 (3)0.005 (3)−0.014 (2)
C460.041 (4)0.049 (4)0.038 (3)0.001 (3)−0.003 (3)−0.021 (3)
C470.063 (4)0.036 (4)0.032 (3)0.003 (3)0.002 (3)−0.013 (3)
C480.059 (4)0.041 (4)0.040 (3)0.005 (3)0.013 (4)−0.016 (3)
C490.049 (4)0.048 (4)0.050 (4)−0.013 (3)0.016 (3)−0.022 (3)
C500.044 (4)0.039 (4)0.039 (3)−0.007 (3)0.007 (3)−0.016 (3)
C510.030 (3)0.028 (3)0.039 (3)−0.007 (2)0.004 (3)−0.016 (2)
C520.023 (3)0.033 (3)0.031 (3)−0.005 (2)−0.006 (2)−0.012 (2)
C530.027 (3)0.030 (3)0.028 (3)−0.005 (2)0.001 (2)−0.016 (2)
C540.032 (3)0.051 (4)0.039 (3)−0.005 (3)−0.004 (3)−0.019 (3)
C550.046 (4)0.051 (4)0.045 (3)−0.019 (3)−0.004 (3)−0.027 (3)
C560.047 (4)0.047 (4)0.032 (3)−0.014 (3)0.000 (3)−0.024 (3)
Geometric parameters (Å, °) top
Co1—O12.016 (5)C11—H110.9300
Co1—O32.022 (4)C12—C131.412 (8)
Co1—O5i2.156 (4)C12—H120.9300
Co1—O6i2.274 (5)C13—C141.410 (7)
Co1—N12.098 (5)C13—C151.426 (7)
Co1—N22.163 (4)C14—C251.453 (8)
Co2—O22.088 (4)C15—C231.387 (8)
Co2—O42.040 (4)C16—C171.480 (7)
Co2—O72.061 (4)C17—C221.383 (9)
Co2—O92.039 (4)C17—C181.403 (9)
Co2—O5i2.167 (4)C18—C191.380 (8)
Co2—O11ii2.176 (4)C18—H180.9300
Co3—O82.030 (4)C19—C201.382 (11)
Co3—O102.027 (4)C19—H190.9300
Co3—O11ii2.159 (4)C20—C211.388 (11)
Co3—O12ii2.264 (4)C20—H200.9300
Co3—N52.097 (5)C21—C221.393 (8)
Co3—N62.166 (4)C21—H210.9300
O1—C11.271 (7)C22—H220.9300
O2—C11.241 (7)C23—C241.423 (8)
O3—C41.263 (7)C24—C261.382 (8)
O4—C41.251 (7)C24—C251.410 (7)
O5—C91.284 (6)C26—C271.372 (8)
O5—Co1ii2.156 (4)C26—H260.9300
O5—Co2ii2.167 (4)C27—C281.381 (8)
O6—C91.252 (6)C27—H270.9300
O6—Co1ii2.274 (5)C28—H280.9300
O7—C291.234 (6)C29—C301.524 (8)
O8—C291.276 (7)C30—C311.506 (9)
O9—C321.236 (7)C30—H30A0.9700
O10—C321.265 (7)C30—H30B0.9700
O11—C371.257 (7)C31—C31iv1.518 (10)
O11—Co3i2.159 (4)C31—H31A0.9700
O11—Co2i2.176 (4)C31—H31B0.9700
O12—C371.262 (7)C32—C331.505 (7)
O12—Co3i2.264 (4)C33—C341.445 (8)
N1—C101.332 (7)C33—H33A0.9700
N1—C141.360 (6)C33—H33B0.9700
N2—C281.302 (7)C34—C351.479 (8)
N2—C251.359 (7)C34—H34A0.9700
N3—C161.370 (7)C34—H34B0.9700
N3—C151.372 (7)C35—C361.518 (9)
N3—H3N0.8600C35—H35A0.9700
N4—C161.324 (8)C35—H35B0.9700
N4—C231.385 (6)C36—C371.494 (8)
N5—C381.327 (7)C36—H36A0.9700
N5—C421.353 (6)C36—H36B0.9700
N6—C561.313 (7)C38—C391.397 (8)
N6—C531.362 (6)C38—H380.9300
N7—C441.366 (7)C39—C401.363 (7)
N7—C431.371 (6)C39—H390.9300
N7—H7N0.8600C40—C411.407 (8)
N8—C441.322 (7)C40—H400.9300
N8—C511.388 (6)C41—C421.408 (7)
C1—C21.504 (8)C41—C431.431 (7)
C2—C31.475 (9)C42—C531.454 (8)
C2—H2A0.9700C43—C511.373 (8)
C2—H2B0.9700C44—C451.470 (7)
C3—C3iii1.467 (13)C45—C501.385 (8)
C3—H3A0.9700C45—C461.396 (8)
C3—H3B0.9700C46—C471.380 (8)
C4—C51.512 (8)C46—H460.9300
C5—C61.400 (9)C47—C481.385 (10)
C5—H5A0.9700C47—H470.9300
C5—H5B0.9700C48—C491.377 (10)
C6—C71.472 (8)C48—H480.9300
C6—H6A0.9700C49—C501.395 (7)
C6—H6B0.9700C49—H490.9300
C7—C81.519 (8)C50—H500.9300
C7—H7A0.9700C51—C521.429 (7)
C7—H7B0.9700C52—C541.371 (8)
C8—C91.479 (8)C52—C531.404 (7)
C8—H8A0.9700C54—C551.376 (8)
C8—H8B0.9700C54—H540.9300
C10—C111.387 (8)C55—C561.391 (8)
C10—H100.9300C55—H550.9300
C11—C121.366 (8)C56—H560.9300
O1—Co1—O3100.15 (19)C23—C15—C13123.3 (5)
O1—Co1—N197.09 (18)N4—C16—N3113.8 (5)
O3—Co1—N193.72 (17)N4—C16—C17124.4 (5)
O1—Co1—O5i105.69 (17)N3—C16—C17121.6 (6)
O3—Co1—O5i94.34 (15)C22—C17—C18119.8 (5)
N1—Co1—O5i154.05 (18)C22—C17—C16118.2 (6)
O1—Co1—N286.74 (18)C18—C17—C16122.0 (6)
O3—Co1—N2169.85 (18)C19—C18—C17119.0 (7)
N1—Co1—N277.94 (17)C19—C18—H18120.5
O5i—Co1—N290.92 (16)C17—C18—H18120.5
O1—Co1—O6i163.61 (17)C18—C19—C20120.7 (7)
O3—Co1—O6i87.28 (17)C18—C19—H19119.6
N1—Co1—O6i96.99 (17)C20—C19—H19119.6
O5i—Co1—O6i58.86 (15)C19—C20—C21121.1 (6)
N2—Co1—O6i88.02 (17)C19—C20—H20119.4
O9—Co2—O4178.17 (15)C21—C20—H20119.4
O9—Co2—O793.16 (17)C20—C21—C22118.1 (7)
O4—Co2—O785.93 (17)C20—C21—H21121.0
O9—Co2—O288.27 (16)C22—C21—H21121.0
O4—Co2—O292.67 (17)C17—C22—C21121.3 (7)
O7—Co2—O2178.13 (17)C17—C22—H22119.3
O9—Co2—O5i91.48 (16)C21—C22—H22119.3
O4—Co2—O5i90.08 (16)N4—C23—C15110.6 (5)
O7—Co2—O5i87.92 (15)N4—C23—C24127.5 (5)
O2—Co2—O5i90.85 (15)C15—C23—C24121.8 (5)
O9—Co2—O11ii88.14 (16)C26—C24—C25117.5 (5)
O4—Co2—O11ii90.27 (16)C26—C24—C23126.1 (5)
O7—Co2—O11ii90.28 (15)C25—C24—C23116.5 (5)
O2—Co2—O11ii90.96 (15)N2—C25—C24121.9 (5)
O5i—Co2—O11ii178.13 (14)N2—C25—C14116.6 (4)
O10—Co3—O899.43 (17)C24—C25—C14121.5 (5)
O10—Co3—N596.08 (16)C27—C26—C24119.6 (5)
O8—Co3—N595.76 (17)C27—C26—H26120.2
O10—Co3—O11ii93.23 (15)C24—C26—H26120.2
O8—Co3—O11ii105.97 (16)C26—C27—C28119.3 (6)
N5—Co3—O11ii154.59 (17)C26—C27—H27120.4
O10—Co3—N6171.27 (17)C28—C27—H27120.4
O8—Co3—N686.79 (17)N2—C28—C27123.2 (5)
N5—Co3—N677.10 (17)N2—C28—H28118.4
O11ii—Co3—N690.90 (16)C27—C28—H28118.4
O10—Co3—O12ii88.27 (16)O7—C29—O8126.8 (5)
O8—Co3—O12ii163.45 (16)O7—C29—C30117.7 (5)
N5—Co3—O12ii97.97 (17)O8—C29—C30115.5 (5)
O11ii—Co3—O12ii58.68 (14)C31—C30—C29108.4 (5)
N6—Co3—O12ii87.31 (16)C31—C30—H30A110.0
C1—O1—Co1127.0 (4)C29—C30—H30A110.0
C1—O2—Co2134.4 (4)C31—C30—H30B110.0
C4—O3—Co1121.3 (4)C29—C30—H30B110.0
C4—O4—Co2138.2 (4)H30A—C30—H30B108.4
C9—O5—Co1ii93.5 (3)C30—C31—C31iv113.7 (7)
C9—O5—Co2ii142.7 (3)C30—C31—H31A108.8
Co1ii—O5—Co2ii105.31 (17)C31iv—C31—H31A108.8
C9—O6—Co1ii89.0 (4)C30—C31—H31B108.8
C29—O7—Co2136.7 (4)C31iv—C31—H31B108.8
C29—O8—Co3123.5 (4)H31A—C31—H31B107.7
C32—O9—Co2139.8 (4)O9—C32—O10125.1 (5)
C32—O10—Co3121.4 (4)O9—C32—C33118.5 (5)
C37—O11—Co3i93.6 (3)O10—C32—C33116.5 (5)
C37—O11—Co2i144.3 (3)C34—C33—C32116.2 (6)
Co3i—O11—Co2i106.05 (17)C34—C33—H33A108.2
C37—O12—Co3i88.7 (4)C32—C33—H33A108.2
C10—N1—C14118.1 (5)C34—C33—H33B108.2
C10—N1—Co1126.7 (4)C32—C33—H33B108.2
C14—N1—Co1115.1 (4)H33A—C33—H33B107.4
C28—N2—C25118.6 (4)C33—C34—C35124.6 (6)
C28—N2—Co1128.0 (4)C33—C34—H34A106.2
C25—N2—Co1113.3 (4)C35—C34—H34A106.2
C16—N3—C15105.7 (5)C33—C34—H34B106.2
C16—N3—H3N127.1C35—C34—H34B106.2
C15—N3—H3N127.1H34A—C34—H34B106.4
C16—N4—C23103.7 (5)C34—C35—C36117.2 (5)
C38—N5—C42117.6 (5)C34—C35—H35A108.0
C38—N5—Co3125.9 (3)C36—C35—H35A108.0
C42—N5—Co3116.5 (4)C34—C35—H35B108.0
C56—N6—C53118.0 (4)C36—C35—H35B108.0
C56—N6—Co3128.1 (4)H35A—C35—H35B107.2
C53—N6—Co3113.8 (3)C37—C36—C35115.4 (5)
C44—N7—C43105.9 (5)C37—C36—H36A108.4
C44—N7—H7N127.0C35—C36—H36A108.4
C43—N7—H7N127.0C37—C36—H36B108.4
C44—N8—C51104.2 (5)C35—C36—H36B108.4
O2—C1—O1125.6 (6)H36A—C36—H36B107.5
O2—C1—C2117.4 (6)O11—C37—O12118.9 (5)
O1—C1—C2117.0 (6)O11—C37—C36121.7 (5)
C3—C2—C1115.6 (6)O12—C37—C36119.5 (6)
C3—C2—H2A108.4N5—C38—C39124.1 (5)
C1—C2—H2A108.4N5—C38—H38118.0
C3—C2—H2B108.4C39—C38—H38118.0
C1—C2—H2B108.4C40—C39—C38118.2 (6)
H2A—C2—H2B107.4C40—C39—H39120.9
C3iii—C3—C2118.6 (9)C38—C39—H39120.9
C3iii—C3—H3A107.7C39—C40—C41120.1 (5)
C2—C3—H3A107.7C39—C40—H40120.0
C3iii—C3—H3B107.7C41—C40—H40120.0
C2—C3—H3B107.7C40—C41—C42117.3 (5)
H3A—C3—H3B107.1C40—C41—C43127.0 (5)
O4—C4—O3125.3 (5)C42—C41—C43115.6 (5)
O4—C4—C5117.9 (5)N5—C42—C41122.7 (5)
O3—C4—C5116.8 (5)N5—C42—C53116.3 (5)
C6—C5—C4118.8 (6)C41—C42—C53121.0 (4)
C6—C5—H5A107.6N7—C43—C51106.7 (4)
C4—C5—H5A107.6N7—C43—C41129.7 (5)
C6—C5—H5B107.6C51—C43—C41123.6 (5)
C4—C5—H5B107.6N8—C44—N7113.1 (5)
H5A—C5—H5B107.0N8—C44—C45124.9 (5)
C5—C6—C7125.7 (7)N7—C44—C45121.9 (5)
C5—C6—H6A105.9C50—C45—C46119.5 (5)
C7—C6—H6A105.9C50—C45—C44118.2 (6)
C5—C6—H6B105.9C46—C45—C44122.3 (5)
C7—C6—H6B105.9C47—C46—C45119.0 (6)
H6A—C6—H6B106.2C47—C46—H46120.5
C6—C7—C8117.0 (5)C45—C46—H46120.5
C6—C7—H7A108.0C46—C47—C48121.1 (7)
C8—C7—H7A108.0C46—C47—H47119.4
C6—C7—H7B108.0C48—C47—H47119.4
C8—C7—H7B108.0C49—C48—C47120.6 (6)
H7A—C7—H7B107.3C49—C48—H48119.7
C9—C8—C7117.0 (5)C47—C48—H48119.7
C9—C8—H8A108.0C48—C49—C50118.4 (6)
C7—C8—H8A108.0C48—C49—H49120.8
C9—C8—H8B108.0C50—C49—H49120.8
C7—C8—H8B108.0C45—C50—C49121.4 (6)
H8A—C8—H8B107.3C45—C50—H50119.3
O6—C9—O5118.5 (5)C49—C50—H50119.3
O6—C9—C8119.6 (5)C43—C51—N8110.1 (5)
O5—C9—C8121.8 (5)C43—C51—C52121.7 (4)
N1—C10—C11123.6 (5)N8—C51—C52128.2 (5)
N1—C10—H10118.2C54—C52—C53118.0 (5)
C11—C10—H10118.2C54—C52—C51125.6 (5)
C12—C11—C10119.3 (6)C53—C52—C51116.4 (5)
C12—C11—H11120.3N6—C53—C52122.0 (5)
C10—C11—H11120.3N6—C53—C42116.3 (4)
C11—C12—C13119.0 (5)C52—C53—C42121.7 (5)
C11—C12—H12120.5C52—C54—C55120.1 (5)
C13—C12—H12120.5C52—C54—H54119.9
C14—C13—C12118.1 (5)C55—C54—H54119.9
C14—C13—C15115.8 (5)C54—C55—C56118.3 (6)
C12—C13—C15125.9 (5)C54—C55—H55120.8
N1—C14—C13121.8 (5)C56—C55—H55120.8
N1—C14—C25117.1 (5)N6—C56—C55123.5 (5)
C13—C14—C25121.1 (4)N6—C56—H56118.2
N3—C15—C23106.2 (4)C55—C56—H56118.2
N3—C15—C13130.5 (5)
O3—Co1—O1—C1−99.9 (5)C22—C17—C18—C190.8 (10)
N1—Co1—O1—C1165.0 (4)C16—C17—C18—C19−176.2 (6)
O5i—Co1—O1—C1−2.5 (5)C17—C18—C19—C201.2 (10)
N2—Co1—O1—C187.6 (5)C18—C19—C20—C21−2.6 (11)
O6i—Co1—O1—C116.0 (8)C19—C20—C21—C222.0 (11)
O9—Co2—O2—C1−150.8 (6)C18—C17—C22—C21−1.3 (10)
O4—Co2—O2—C130.8 (6)C16—C17—C22—C21175.7 (6)
O5i—Co2—O2—C1−59.3 (6)C20—C21—C22—C170.0 (11)
O11ii—Co2—O2—C1121.1 (6)C16—N4—C23—C151.4 (7)
O1—Co1—O3—C459.4 (5)C16—N4—C23—C24177.8 (6)
N1—Co1—O3—C4157.3 (5)N3—C15—C23—N4−0.7 (7)
O5i—Co1—O3—C4−47.4 (5)C13—C15—C23—N4176.5 (5)
N2—Co1—O3—C4−168.4 (10)N3—C15—C23—C24−177.4 (5)
O6i—Co1—O3—C4−105.9 (5)C13—C15—C23—C24−0.2 (9)
O7—Co2—O4—C474.8 (6)N4—C23—C24—C262.8 (11)
O2—Co2—O4—C4−103.9 (6)C15—C23—C24—C26178.9 (6)
O5i—Co2—O4—C4−13.1 (6)N4—C23—C24—C25−176.6 (6)
O11ii—Co2—O4—C4165.1 (6)C15—C23—C24—C25−0.6 (9)
O9—Co2—O7—C29−33.4 (6)C28—N2—C25—C24−0.8 (9)
O4—Co2—O7—C29145.1 (6)Co1—N2—C25—C24−178.0 (4)
O5i—Co2—O7—C29−124.7 (6)C28—N2—C25—C14178.0 (6)
O11ii—Co2—O7—C2954.8 (6)Co1—N2—C25—C140.8 (6)
O10—Co3—O8—C29104.6 (4)C26—C24—C25—N20.4 (9)
N5—Co3—O8—C29−158.2 (4)C23—C24—C25—N2179.9 (5)
O11ii—Co3—O8—C298.5 (4)C26—C24—C25—C14−178.3 (6)
N6—Co3—O8—C29−81.6 (4)C23—C24—C25—C141.2 (9)
O12ii—Co3—O8—C29−12.3 (7)N1—C14—C25—N20.2 (8)
O7—Co2—O9—C32102.7 (6)C13—C14—C25—N2−179.9 (5)
O2—Co2—O9—C32−78.5 (6)N1—C14—C25—C24178.9 (5)
O5i—Co2—O9—C32−169.3 (6)C13—C14—C25—C24−1.1 (9)
O11ii—Co2—O9—C3212.5 (6)C25—C24—C26—C270.2 (10)
O8—Co3—O10—C32−61.0 (5)C23—C24—C26—C27−179.2 (6)
N5—Co3—O10—C32−157.9 (5)C24—C26—C27—C28−0.4 (11)
O11ii—Co3—O10—C3245.8 (5)C25—N2—C28—C270.6 (10)
O12ii—Co3—O10—C32104.3 (5)Co1—N2—C28—C27177.3 (5)
O1—Co1—N1—C1092.0 (5)C26—C27—C28—N20.0 (11)
O3—Co1—N1—C10−8.8 (5)Co2—O7—C29—O8−12.9 (10)
O5i—Co1—N1—C10−116.6 (5)Co2—O7—C29—C30169.5 (4)
N2—Co1—N1—C10177.1 (6)Co3—O8—C29—O7−26.5 (8)
O6i—Co1—N1—C10−96.5 (5)Co3—O8—C29—C30151.0 (4)
O1—Co1—N1—C14−84.0 (4)O7—C29—C30—C3176.3 (7)
O3—Co1—N1—C14175.3 (4)O8—C29—C30—C31−101.5 (6)
O5i—Co1—N1—C1467.4 (5)C29—C30—C31—C31iv174.6 (6)
N2—Co1—N1—C141.1 (4)Co2—O9—C32—O10−47.3 (10)
O6i—Co1—N1—C1487.6 (4)Co2—O9—C32—C33132.5 (5)
O1—Co1—N2—C28−79.9 (6)Co3—O10—C32—O95.9 (9)
O3—Co1—N2—C28147.0 (10)Co3—O10—C32—C33−173.9 (4)
N1—Co1—N2—C28−177.9 (6)O9—C32—C33—C343.2 (10)
O5i—Co1—N2—C2825.7 (6)O10—C32—C33—C34−176.9 (7)
O6i—Co1—N2—C2884.5 (6)C32—C33—C34—C35−172.7 (7)
O1—Co1—N2—C2596.9 (4)C33—C34—C35—C36−34.2 (12)
O3—Co1—N2—C25−36.2 (13)C34—C35—C36—C37−54.2 (9)
N1—Co1—N2—C25−1.0 (4)Co3i—O11—C37—O124.3 (5)
O5i—Co1—N2—C25−157.4 (4)Co2i—O11—C37—O12128.6 (5)
O6i—Co1—N2—C25−98.6 (4)Co3i—O11—C37—C36−174.7 (4)
O10—Co3—N5—C388.2 (5)Co2i—O11—C37—C36−50.5 (9)
O8—Co3—N5—C38−91.9 (5)Co3i—O12—C37—O11−4.1 (4)
O11ii—Co3—N5—C38119.1 (5)Co3i—O12—C37—C36175.0 (4)
N6—Co3—N5—C38−177.3 (5)C35—C36—C37—O11−38.1 (7)
O12ii—Co3—N5—C3897.3 (5)C35—C36—C37—O12142.9 (5)
O10—Co3—N5—C42−174.3 (4)C42—N5—C38—C390.5 (9)
O8—Co3—N5—C4285.5 (4)Co3—N5—C38—C39177.9 (5)
O11ii—Co3—N5—C42−63.5 (6)N5—C38—C39—C400.8 (10)
N6—Co3—N5—C420.1 (4)C38—C39—C40—C41−1.0 (10)
O12ii—Co3—N5—C42−85.2 (4)C39—C40—C41—C42−0.1 (9)
O8—Co3—N6—C5681.9 (5)C39—C40—C41—C43−177.4 (6)
N5—Co3—N6—C56178.6 (6)C38—N5—C42—C41−1.7 (9)
O11ii—Co3—N6—C56−24.1 (5)Co3—N5—C42—C41−179.3 (4)
O12ii—Co3—N6—C56−82.6 (5)C38—N5—C42—C53177.4 (5)
O8—Co3—N6—C53−96.6 (4)Co3—N5—C42—C53−0.3 (7)
N5—Co3—N6—C530.0 (4)C40—C41—C42—N51.5 (9)
O11ii—Co3—N6—C53157.4 (4)C43—C41—C42—N5179.1 (5)
O12ii—Co3—N6—C5398.9 (4)C40—C41—C42—C53−177.5 (6)
Co2—O2—C1—O123.4 (9)C43—C41—C42—C530.1 (8)
Co2—O2—C1—C2−155.7 (4)C44—N7—C43—C510.8 (6)
Co1—O1—C1—O215.5 (8)C44—N7—C43—C41178.3 (6)
Co1—O1—C1—C2−165.4 (4)C40—C41—C43—N7−1.3 (11)
O2—C1—C2—C3−56.1 (8)C42—C41—C43—N7−178.6 (6)
O1—C1—C2—C3124.7 (7)C40—C41—C43—C51175.9 (6)
C1—C2—C3—C3iii−65.4 (12)C42—C41—C43—C51−1.4 (9)
Co2—O4—C4—O346.2 (10)C51—N8—C44—N70.6 (7)
Co2—O4—C4—C5−132.0 (6)C51—N8—C44—C45176.3 (6)
Co1—O3—C4—O4−4.4 (9)C43—N7—C44—N8−0.9 (7)
Co1—O3—C4—C5173.9 (5)C43—N7—C44—C45−176.7 (5)
O4—C4—C5—C6−0.9 (12)N8—C44—C45—C5013.8 (9)
O3—C4—C5—C6−179.3 (8)N7—C44—C45—C50−170.8 (6)
C4—C5—C6—C7173.5 (8)N8—C44—C45—C46−164.5 (6)
C5—C6—C7—C833.0 (13)N7—C44—C45—C4610.8 (9)
C6—C7—C8—C953.8 (9)C50—C45—C46—C47−0.3 (9)
Co1ii—O6—C9—O53.7 (4)C44—C45—C46—C47178.0 (6)
Co1ii—O6—C9—C8−175.0 (4)C45—C46—C47—C48−1.1 (10)
Co1ii—O5—C9—O6−3.9 (5)C46—C47—C48—C491.9 (10)
Co2ii—O5—C9—O6−125.0 (5)C47—C48—C49—C50−1.3 (10)
Co1ii—O5—C9—C8174.8 (4)C46—C45—C50—C490.9 (10)
Co2ii—O5—C9—C853.7 (8)C44—C45—C50—C49−177.5 (6)
C7—C8—C9—O6−145.8 (5)C48—C49—C50—C45−0.1 (10)
C7—C8—C9—O535.5 (7)N7—C43—C51—N8−0.4 (7)
C14—N1—C10—C11−0.6 (9)C41—C43—C51—N8−178.2 (5)
Co1—N1—C10—C11−176.4 (5)N7—C43—C51—C52−180.0 (5)
N1—C10—C11—C12−0.8 (10)C41—C43—C51—C522.3 (10)
C10—C11—C12—C130.2 (9)C44—N8—C51—C43−0.1 (7)
C11—C12—C13—C141.7 (9)C44—N8—C51—C52179.4 (6)
C11—C12—C13—C15177.8 (6)C43—C51—C52—C54179.9 (6)
C10—N1—C14—C132.6 (9)N8—C51—C52—C540.5 (10)
Co1—N1—C14—C13178.9 (4)C43—C51—C52—C53−1.7 (9)
C10—N1—C14—C25−177.4 (5)N8—C51—C52—C53178.8 (6)
Co1—N1—C14—C25−1.1 (7)C56—N6—C53—C520.2 (9)
C12—C13—C14—N1−3.2 (9)Co3—N6—C53—C52178.9 (4)
C15—C13—C14—N1−179.7 (5)C56—N6—C53—C42−178.9 (6)
C12—C13—C14—C25176.8 (5)Co3—N6—C53—C42−0.2 (6)
C15—C13—C14—C250.3 (8)C54—C52—C53—N6−0.1 (9)
C16—N3—C15—C23−0.3 (7)C51—C52—C53—N6−178.5 (5)
C16—N3—C15—C13−177.2 (6)C54—C52—C53—C42179.0 (6)
C14—C13—C15—N3176.7 (6)C51—C52—C53—C420.5 (8)
C12—C13—C15—N30.6 (11)N5—C42—C53—N60.4 (8)
C14—C13—C15—C230.3 (9)C41—C42—C53—N6179.4 (5)
C12—C13—C15—C23−175.9 (6)N5—C42—C53—C52−178.7 (5)
C23—N4—C16—N3−1.6 (7)C41—C42—C53—C520.3 (9)
C23—N4—C16—C17−176.1 (6)C53—C52—C54—C55−0.3 (10)
C15—N3—C16—N41.2 (7)C51—C52—C54—C55178.1 (6)
C15—N3—C16—C17175.9 (6)C52—C54—C55—C560.5 (10)
N4—C16—C17—C22−13.3 (10)C53—N6—C56—C550.0 (10)
N3—C16—C17—C22172.6 (6)Co3—N6—C56—C55−178.4 (5)
N4—C16—C17—C18163.6 (7)C54—C55—C56—N6−0.3 (11)
N3—C16—C17—C18−10.5 (10)
Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z; (iii) −x+1, −y+1, −z+1; (iv) −x+2, −y+2, −z.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
N3—H3N···O6v0.862.052.785 (6)143
N7—H7N···O12vi0.862.052.795 (6)144
Symmetry codes: (v) −x+2, −y+2, −z+1; (vi) −x+1, −y+1, −z.
Table 1
Selected geometric parameters (Å) top
Co1—O12.016 (5)Co2—O92.039 (4)
Co1—O32.022 (4)Co2—O5i2.167 (4)
Co1—O5i2.156 (4)Co2—O11ii2.176 (4)
Co1—O6i2.274 (5)Co3—O82.030 (4)
Co1—N12.098 (5)Co3—O102.027 (4)
Co1—N22.163 (4)Co3—O11ii2.159 (4)
Co2—O22.088 (4)Co3—O12ii2.264 (4)
Co2—O42.040 (4)Co3—N52.097 (5)
Co2—O72.061 (4)Co3—N62.166 (4)
Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z.
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
N3—H3N···O6iii0.862.052.785 (6)143
N7—H7N···O12iv0.862.052.795 (6)144
Symmetry codes: (iii) −x+2, −y+2, −z+1; (iv) −x+1, −y+1, −z.
Acknowledgements top

The authors thank Xi'an Modern Chemistry Research Institute and the University of Malaya for supporting this work.

references
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