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Acta Cryst. (2008). E64, m479-m480    [ doi:10.1107/S1600536808003875 ]

{2,2'-[1,1'-(3-Azapentane-1,5-diyldinitrilo)diethylidyne]diphenolato}(piperidine)cobalt(III) tetraphenylborate

S. Meghdadi, K. J. Schenk, M. Amirnasr and F. Fadaee

Abstract top

The title compound, [Co(C20H23N3O2)(C5H11N)](C24H20B) or [Co{(Me-sal)2dien}(pprdn)]BPh4, where (Me-sal)2dien is 2,2'-[1,1'-(3-azapentane-1,5-diyldinitrilo)diethylidyne]diphenolate and pprdn is piperidine, contains a pentadentate (Me-sal)2dien ligand furnishing an N3O2 set, such that two of the N and one of the O atoms of the salicylidene rings define three positions of an equatorial plane, whereas the secondary amine N atom and the other O atom of the salicylidene lie in axial positions. The piperidine ligand occupies an equatorial position trans to one of the imine N atoms of the salicylidene. In the observed conformation of the pentadentate ligand, the salicylidene rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN4O2 coordination can be described as distorted octahedral. The asymetric unit contains two formula units.

Comment top

Metal complexes of Schiff base ligands, aside from their wide applications, have been investigated from the coordination chemistry and structural points of view (Botteher et al., 1997; Barnes et al., 1998; Niswander & Taylor, 1997; Hirota et al., 1998; Nagata et al., 1995). Extensive investigation of the reactivity and structural aspects of metal complexes with pentadentate N3O2 ligands has been carried out and it has been found that, apart from the structural demands of the pentadentate ligand, many other factors play their rôles in the realised structures of these compounds (Cini, 2001; Amirnasr et al., 2006; Morshedi et al., 2006; Meghdadi et al., 2007; Munro & Govender, 2007). In this context, we report here the synthesis and structure of [Co{(Me-sal)2dien}(pprdn)]BPh4, (I).

The asymmetric unit consists of two chemically identical, but conformationally slightly different [Co{(Me-sal)2dien}(pprdn)]+ cations and two tetraphenylborate anions. The environment surrounding each CoIII atom in (I) is distorted octahedral (Fig. 1) in which the three N atoms of the Schiff base ligand are arranged in facial positions. Selected geometric parameters are listed in Table 1; only the values of one complex are given, those of the other generally lie within 3σ level. The two chelate bite angles N3—Co1—N11/N21, formed by the two imine-N and the secondary amine-N of the Schiff base, are almost identical. The six-membered chelate rings formed by the phenolate-O and the imine-N atoms have, however, different bite angles O11—Co1—N11 and O21—Co1—N21. Of the three trans angles, only O21—Co1—N11 is close to ideal, but O11—Co1—N3 and N21—Co1—N4 deviate significantly. The Co—O(phenolate), Co—N(imine), Co—N(secondary amine) and Co—N(piperidine) bond lengths are comparable with those observed in related CoIII complexes (Meghdadi et al., 2007, Amirnasr et al., 2001). Neither of the two six-membered chelate rings formed by (Me-sal)2dien is planar. The metal centres lie off the salicylaldimine fragments by 0.666 (2), 1.040 (2), 0.730 (2) and 1.099 (2) Å for O11, O21, O51 and O61, respectively, the planes themselves having a mean deviation of 0.080 Å. The conformation adopted by (Me-sal)2dien in (I) is different from that of (Me-sal)2dpt in [Co{(Me-sal)2dpt}(py)2]PF6 (Meghdadi et al., 2007). While the three donor N atoms of (Me-sal)2dpt occupy three meridional sites and the two phenolate-O atoms are trans to each other, the three N atoms of (Me-sal)2dien ligand in (I) are arranged in facial positions and the two phenolate-O atoms are cis. This is presumably due to the structural demands imparted by the (Me-sal)2dien Schiff base ligand which has forced the [Co{(Me-sal)2dien}(pprdn)]+ to attain such a twisted structure.

Unsurprisingly, the structure owes its cohesion to a multitude of C—H···π weak interactions (Fig. 2), the shortest of them (2.94 Å) being between the C610—H61A group and the C130—C135 phenyl ring (Table 2). There are also rather marginal C—H···O hydrogen bonds, some of them intramolecular.

Related literature top

For related literature, see: Amirnasr et al. (2001, 2006); Barnes et al. (1998); Botteher et al. (1997); Cini (2001); Hirota et al. (1998); Meghdadi et al. (2007); Morshedi et al. (2006); Munro & Govender (2007); Nagata et al. (1995); Niswander & Taylor (1997).

Experimental top

To a stirring solution of Co(CH3COO)2.4H2O (0.249 g, 1 mmol) in methanol (25 ml) was added an equimolar amount of the H2(Me-sal)2dien ligand (0.339 g, 1 mmol). Owing to the formation of the [CoII{(Me-sal)2dien}] complex, the pink solution turned brown immediately. To this solution was then added piperidine (4 mmol) and air was bubbled through the reaction mixture for about 3 h. To the final green-brown solution was added NaBPh4 (0.342 g, 1 mmol). Dark green crystals of (I) suitable for X-ray analysis were obtained after 48 h. The crystals were filtered off, washed with cold methanol and dried under a vacuum. The measured crystal was bounded by the {010} and {001} pinacoids, the (101) pedion and a (701) cut face.

Refinement top

H atoms were positioned geometrically and allowed to ride on their parent atoms, with N—H = 0.91 Å and C—H = 0.93–0.97 Å. The Uiso values were constrained to be 1.5Ueq of the carrier atom for methyl H atoms and 1.2Ueq for the remaining H atoms. PLATON (Spek, 2003) detected solvent accessible voids of approximately 80 Å3 in the structure. These voids could have initially contained methanol solvent molecules but these molecules have since evaporated from the structure without degradation of the crystal.

Computing details top

Data collection: X-AREA (Stoe & Cie, 2006); cell refinement: X-AREA (Stoe & Cie, 2006); data reduction: X-RED32 (Stoe & Cie, 2005); program(s) used to solve structure: DIRDIF96 (Beurskens et al., 1996); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and CrystalMaker (Palmer, 2007); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003).

Figures top
[Figure 1] Fig. 1. The structure of a independent [CoIII{(Me-sal)2dien}(pprdn)]+ cation. Displacement ellipsoids are drawn at the 30% probability level. The other independent cation and counter-ions have been omitted for clarity. H atoms are not shown.
[Figure 2] Fig. 2. Stereoscopic view of the crystal structure of (I), illustrating some typical C–H···π interactions. H atoms not involved in the interactions have been omitted.
{2,2'-[1,1'-(3-Azapentane-1,5- diyldinitrilo)diethylidyne]diphenolato}(piperidine)cobalt(III) tetraphenylborate top
Crystal data top
[Co(C20H23N3O2)(C5H11N)](C24H20B)Z = 4
Mr = 800.70F000 = 1696
Triclinic, P1Dx = 1.245 Mg m−3
Hall symbol: -P 1Mo Kα radiation
λ = 0.71073 Å
a = 11.1188 (7) ÅCell parameters from 20476 reflections
b = 16.8783 (10) Åθ = 1.8–29.6º
c = 23.3398 (13) ŵ = 0.45 mm−1
α = 91.222 (5)ºT = 293 (2) K
β = 96.054 (5)ºPrism, green
γ = 100.914 (5)º0.30 × 0.13 × 0.11 mm
V = 4273.1 (4) Å3
Data collection top
Stoe IPDS2
diffractometer		22000 independent reflections
Monochromator: plane graphite11758 reflections with I > 2σ(I)
Detector resolution: 6.67 pixels mm-1Rint = 0.036
T = 293(2) Kθmax = 29.6º
rotation scansθmin = 1.9º
Absorption correction: integration
(X-RED32; Stoe & Cie, 2005)		h = −14→15
Tmin = 0.878, Tmax = 0.953k = −23→23
43249 measured reflectionsl = −32→28
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.043  w = 1/[σ2(Fo2) + (0.0558P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.119(Δ/σ)max = 0.027
S = 0.93Δρmax = 0.33 e Å−3
22000 reflectionsΔρmin = −0.41 e Å−3
1032 parametersExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00168 (18)
Secondary atom site location: difference Fourier map
Crystal data top
[Co(C20H23N3O2)(C5H11N)](C24H20B)γ = 100.914 (5)º
Mr = 800.70V = 4273.1 (4) Å3
Triclinic, P1Z = 4
a = 11.1188 (7) ÅMo Kα
b = 16.8783 (10) ŵ = 0.45 mm−1
c = 23.3398 (13) ÅT = 293 (2) K
α = 91.222 (5)º0.30 × 0.13 × 0.11 mm
β = 96.054 (5)º
Data collection top
Stoe IPDS2
diffractometer		22000 independent reflections
Absorption correction: integration
(X-RED32; Stoe & Cie, 2005)		11758 reflections with I > 2σ(I)
Tmin = 0.878, Tmax = 0.953Rint = 0.036
43249 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0431032 parameters
wR(F2) = 0.119H-atom parameters constrained
S = 0.93Δρmax = 0.33 e Å−3
22000 reflectionsΔρmin = −0.41 e Å−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
Co10.03516 (2)0.219640 (15)0.197172 (12)0.03749 (8)
O11−0.01627 (13)0.12993 (8)0.14649 (7)0.0438 (3)
O210.19796 (13)0.20517 (8)0.19338 (6)0.0427 (3)
N30.07829 (17)0.31455 (10)0.25161 (8)0.0466 (4)
H30.14750.31070.27510.056*
N40.03413 (16)0.13725 (10)0.25841 (8)0.0447 (4)
H40.05720.09610.23920.054*
N11−0.13195 (17)0.23359 (11)0.20053 (8)0.0466 (4)
N210.06242 (17)0.29650 (10)0.13893 (8)0.0465 (4)
C11−0.1080 (2)0.12555 (12)0.10570 (10)0.0422 (5)
C12−0.1029 (3)0.08125 (14)0.05463 (11)0.0573 (6)
H12−0.03410.05850.05060.069*
C13−0.1966 (3)0.07100 (17)0.01094 (13)0.0723 (8)
H13−0.19100.0414−0.02240.087*
C14−0.2998 (3)0.10411 (19)0.01560 (14)0.0762 (8)
H14−0.36350.0968−0.01440.091*
C15−0.3074 (2)0.14765 (16)0.06468 (13)0.0629 (7)
H15−0.37720.16970.06760.075*
C16−0.2129 (2)0.16020 (13)0.11089 (10)0.0475 (5)
C17−0.2249 (2)0.20767 (14)0.16245 (11)0.0504 (5)
C18−0.3493 (2)0.2266 (2)0.17064 (16)0.0852 (10)
H18A−0.35930.22760.21100.128*
H18B−0.41280.18590.15060.128*
H18C−0.35520.27830.15550.128*
C19−0.1470 (2)0.28695 (16)0.24924 (12)0.0603 (7)
H19B−0.20910.25890.27180.072*
H19A−0.17430.33470.23460.072*
C110−0.0258 (2)0.31131 (15)0.28686 (11)0.0573 (6)
H11A−0.02160.36390.30540.069*
H11B−0.02000.27260.31670.069*
C210.22754 (19)0.18656 (12)0.14211 (10)0.0428 (5)
C220.3042 (2)0.13029 (15)0.13846 (12)0.0563 (6)
H220.33260.10690.17170.068*
C230.3379 (3)0.10928 (18)0.08594 (15)0.0726 (8)
H230.38870.07160.08410.087*
C240.2979 (3)0.1430 (2)0.03640 (15)0.0811 (9)
H240.32020.12740.00120.097*
C250.2250 (3)0.19957 (17)0.03875 (12)0.0670 (7)
H250.19970.22310.00510.080*
C260.1879 (2)0.22264 (13)0.09135 (10)0.0490 (5)
C270.1231 (2)0.28984 (14)0.09549 (11)0.0518 (6)
C280.1378 (4)0.35382 (19)0.05150 (14)0.0873 (10)
H28A0.06130.37200.04310.131*
H28B0.16040.33180.01680.131*
H28C0.20100.39850.06650.131*
C290.0356 (3)0.37407 (13)0.15872 (12)0.0596 (7)
H29A−0.05220.37050.15970.072*
H29B0.06540.41680.13360.072*
C2100.1035 (2)0.38914 (13)0.21831 (12)0.0572 (6)
H21A0.19130.40460.21580.069*
H21B0.07690.43300.23790.069*
C41−0.0832 (2)0.09646 (16)0.27676 (13)0.0630 (7)
H41A−0.14280.08150.24300.076*
H41B−0.11420.13370.30100.076*
C42−0.0712 (3)0.02150 (18)0.30976 (14)0.0778 (9)
H42A−0.1493−0.00050.32360.093*
H42B−0.0515−0.01900.28400.093*
C430.0268 (3)0.0396 (2)0.35967 (15)0.0901 (10)
H43A0.0368−0.01020.37790.108*
H43B0.00230.07470.38790.108*
C440.1480 (3)0.08016 (17)0.33991 (14)0.0742 (8)
H44B0.20890.09510.37310.089*
H44A0.17730.04260.31520.089*
C450.1328 (2)0.15452 (15)0.30733 (12)0.0587 (6)
H45A0.11370.19450.33360.070*
H45B0.21000.17720.29290.070*
Co20.57353 (3)0.773334 (16)0.298320 (13)0.03930 (8)
N70.52384 (17)0.67418 (11)0.24852 (9)0.0492 (5)
H70.45410.67740.22520.059*
N80.57452 (17)0.84923 (11)0.23202 (8)0.0473 (4)
H80.55820.89400.24970.057*
N510.73755 (17)0.75432 (11)0.29545 (9)0.0480 (4)
N610.54512 (17)0.70276 (11)0.36038 (9)0.0489 (4)
O610.41327 (13)0.79323 (9)0.30228 (7)0.0448 (3)
O510.63365 (14)0.86782 (8)0.34407 (7)0.0452 (3)
C510.7240 (2)0.87176 (12)0.38581 (10)0.0419 (5)
C520.7243 (3)0.92242 (14)0.43431 (11)0.0555 (6)
H520.65950.94960.43650.067*
C530.8174 (3)0.93252 (16)0.47812 (12)0.0659 (7)
H530.81600.96700.50960.079*
C540.9143 (3)0.89204 (17)0.47644 (12)0.0658 (7)
H540.97690.89840.50690.079*
C550.9171 (2)0.84263 (15)0.42965 (12)0.0580 (6)
H550.98260.81580.42850.070*
C560.8233 (2)0.83143 (13)0.38309 (10)0.0461 (5)
C570.8324 (2)0.78085 (14)0.33280 (11)0.0509 (6)
C580.9549 (2)0.7592 (2)0.32530 (16)0.0855 (10)
H58A0.96420.75560.28500.128*
H58B0.95900.70810.34190.128*
H58C1.01970.80000.34430.128*
C590.7488 (2)0.69713 (17)0.24871 (13)0.0643 (7)
H59A0.77490.64990.26490.077*
H59B0.81040.72230.22480.077*
C5100.6256 (2)0.67211 (15)0.21238 (12)0.0588 (6)
H51A0.62000.70850.18100.071*
H51B0.61850.61800.19590.071*
C610.3910 (2)0.81917 (15)0.35295 (11)0.0509 (6)
C620.3228 (3)0.88015 (19)0.35462 (14)0.0768 (9)
H620.29350.90070.32040.092*
C630.2986 (4)0.9101 (3)0.40639 (17)0.1161 (16)
H630.25280.95080.40670.139*
C640.3405 (5)0.8813 (3)0.45736 (16)0.1207 (16)
H640.32580.90370.49210.145*
C650.4042 (3)0.8194 (2)0.45728 (14)0.0861 (10)
H650.43040.79890.49210.103*
C660.4304 (2)0.78668 (16)0.40525 (11)0.0558 (6)
C670.4856 (2)0.71562 (15)0.40341 (11)0.0536 (6)
C680.4633 (3)0.65494 (19)0.44956 (14)0.0817 (9)
H68A0.53510.63160.45800.123*
H68B0.39400.61320.43620.123*
H68C0.44650.68150.48380.123*
C690.5671 (3)0.62214 (14)0.34420 (13)0.0634 (7)
H69A0.53580.58260.37120.076*
H69B0.65440.62320.34330.076*
C6100.4980 (2)0.60292 (13)0.28493 (13)0.0612 (7)
H61A0.52320.55710.26720.073*
H61B0.41020.58880.28790.073*
C810.6899 (2)0.88312 (17)0.20845 (13)0.0676 (7)
H81A0.71360.84170.18500.081*
H81B0.75460.89940.24000.081*
C820.6781 (3)0.9555 (2)0.17201 (16)0.0869 (10)
H82A0.66650.99970.19670.104*
H82B0.75400.97270.15490.104*
C830.5728 (3)0.9370 (2)0.12519 (15)0.0898 (10)
H830.58880.89770.09750.108*
H83B0.56420.98580.10520.108*
C850.4690 (2)0.83100 (16)0.18587 (11)0.0587 (6)
H85A0.39380.81220.20330.070*
H85B0.48130.78790.16030.070*
C840.4541 (3)0.90359 (18)0.15098 (13)0.0759 (8)
H84A0.43350.94500.17550.091*
H84B0.38720.88820.12030.091*
B10.5386 (2)0.33267 (14)0.34545 (11)0.0444 (6)
C1300.53836 (19)0.36952 (12)0.28052 (10)0.0428 (5)
C1310.6387 (2)0.42068 (13)0.26134 (11)0.0478 (5)
H1310.70770.43940.28760.057*
C1320.6403 (2)0.44500 (14)0.20490 (12)0.0538 (6)
H1320.71020.47820.19410.065*
C1330.5399 (2)0.42051 (14)0.16509 (12)0.0555 (6)
H1330.54090.43650.12720.067*
C1340.4374 (2)0.37154 (14)0.18237 (11)0.0552 (6)
H1340.36780.35480.15600.066*
C1350.4372 (2)0.34730 (14)0.23833 (11)0.0503 (5)
H1350.36630.31450.24870.060*
C1400.5641 (2)0.23936 (13)0.34129 (11)0.0492 (5)
C1410.4984 (3)0.18345 (15)0.29914 (13)0.0655 (7)
H1410.44370.20070.27150.079*
C1420.5108 (3)0.10377 (17)0.29648 (15)0.0848 (10)
H1420.46290.06860.26800.102*
C1430.5922 (4)0.07573 (18)0.33499 (15)0.0883 (11)
H1430.60150.02220.33270.106*
C1440.6597 (4)0.1283 (2)0.37702 (15)0.0850 (10)
H1440.71600.11030.40360.102*
C1450.6453 (3)0.20826 (17)0.38056 (13)0.0679 (7)
H1450.69130.24230.41010.081*
C1500.4045 (2)0.32980 (13)0.36988 (10)0.0462 (5)
C1510.3600 (2)0.27291 (15)0.40849 (11)0.0571 (6)
H1510.40330.23190.41720.069*
C1520.2538 (3)0.27442 (19)0.43471 (13)0.0738 (8)
H1520.22840.23550.46080.089*
C1530.1868 (3)0.3332 (2)0.42213 (14)0.0760 (9)
H1530.11500.33400.43910.091*
C1540.2264 (3)0.39068 (18)0.38422 (13)0.0689 (8)
H1540.18200.43130.37580.083*
C1550.3325 (2)0.38861 (15)0.35834 (12)0.0561 (6)
H1550.35680.42780.33230.067*
C1600.6443 (2)0.39159 (13)0.38997 (10)0.0471 (5)
C1610.6175 (2)0.44683 (13)0.42957 (11)0.0514 (6)
H1610.53530.44880.43240.062*
C1620.7073 (3)0.49888 (16)0.46492 (13)0.0687 (7)
H1620.68490.53500.49060.082*
C1630.8295 (3)0.49729 (19)0.46222 (15)0.0799 (9)
H1630.89020.53240.48580.096*
C1640.8613 (3)0.4435 (2)0.42447 (14)0.0736 (8)
H1640.94380.44150.42240.088*
C1650.7701 (2)0.39227 (17)0.38956 (12)0.0628 (7)
H1650.79360.35620.36430.075*
B20.0681 (2)0.66578 (15)0.15211 (12)0.0454 (6)
C2300.07126 (19)0.63006 (12)0.21744 (10)0.0448 (5)
C2310.1725 (2)0.65428 (14)0.25919 (11)0.0515 (6)
H2310.24120.68920.24880.062*
C2320.1752 (2)0.62875 (15)0.31501 (12)0.0577 (6)
H2320.24450.64700.34120.069*
C2330.0756 (2)0.57623 (15)0.33230 (12)0.0598 (6)
H2330.07650.55930.37000.072*
C234−0.0244 (2)0.54981 (15)0.29234 (12)0.0584 (6)
H234−0.09200.51390.30290.070*
C235−0.0263 (2)0.57595 (13)0.23633 (11)0.0503 (5)
H235−0.09540.55660.21030.060*
C2400.0555 (2)0.76153 (13)0.15400 (10)0.0472 (5)
C2410.1118 (3)0.81657 (15)0.19836 (12)0.0614 (7)
H2410.15420.79790.23020.074*
C2420.1076 (3)0.89791 (17)0.19723 (15)0.0807 (9)
H2420.14810.93240.22780.097*
C2430.0452 (3)0.92849 (16)0.15219 (15)0.0774 (9)
H2430.04090.98300.15210.093*
C244−0.0105 (3)0.87740 (17)0.10761 (15)0.0812 (9)
H244−0.05310.89690.07620.097*
C245−0.0045 (3)0.79625 (15)0.10847 (13)0.0687 (7)
H245−0.04260.76300.07690.082*
C250−0.0485 (2)0.61028 (13)0.11133 (10)0.0442 (5)
C251−0.1693 (2)0.62181 (16)0.11131 (11)0.0570 (6)
H251−0.18310.66610.13230.068*
C253−0.2536 (3)0.50567 (17)0.05002 (12)0.0663 (7)
H253−0.32080.47110.03010.080*
C254−0.1370 (3)0.49199 (15)0.04799 (12)0.0632 (7)
H254−0.12460.44770.02660.076*
C252−0.2700 (2)0.57074 (18)0.08164 (12)0.0649 (7)
H252−0.34890.58090.08330.078*
C255−0.0374 (2)0.54352 (13)0.07755 (11)0.0507 (6)
H2550.04100.53310.07480.061*
C2600.1965 (2)0.65885 (13)0.12433 (11)0.0465 (5)
C2610.2385 (2)0.70755 (15)0.08037 (12)0.0573 (6)
H2610.19570.74760.06830.069*
C2620.3409 (3)0.69894 (18)0.05384 (13)0.0701 (8)
H2620.36500.73280.02450.084*
C2630.4067 (3)0.64166 (19)0.07011 (14)0.0705 (8)
H2630.47610.63640.05240.085*
C2640.3694 (2)0.59149 (17)0.11305 (13)0.0647 (7)
H2640.41300.55150.12430.078*
C2650.2663 (2)0.60053 (14)0.13974 (12)0.0548 (6)
H2650.24300.56630.16900.066*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.03951 (15)0.03579 (14)0.03717 (18)0.00805 (11)0.00295 (13)0.00127 (11)
O110.0473 (8)0.0398 (7)0.0430 (9)0.0099 (6)−0.0025 (7)−0.0028 (6)
O210.0426 (8)0.0457 (8)0.0396 (9)0.0090 (6)0.0024 (7)0.0019 (6)
N30.0491 (10)0.0432 (9)0.0474 (12)0.0101 (8)0.0042 (9)−0.0059 (8)
N40.0501 (10)0.0430 (9)0.0386 (11)0.0042 (7)0.0019 (8)0.0059 (7)
N110.0462 (10)0.0502 (10)0.0440 (12)0.0128 (8)0.0022 (9)−0.0016 (8)
N210.0539 (11)0.0406 (9)0.0458 (12)0.0129 (8)0.0026 (9)0.0045 (8)
C110.0478 (11)0.0375 (10)0.0382 (13)0.0021 (8)0.0006 (10)0.0046 (8)
C120.0701 (16)0.0525 (13)0.0461 (16)0.0072 (11)0.0016 (13)−0.0043 (10)
C130.091 (2)0.0711 (18)0.0451 (18)0.0012 (15)−0.0083 (16)−0.0112 (13)
C140.0749 (19)0.090 (2)0.051 (2)0.0014 (16)−0.0216 (15)0.0019 (15)
C150.0559 (14)0.0695 (16)0.0586 (19)0.0082 (12)−0.0095 (13)0.0121 (13)
C160.0456 (12)0.0483 (12)0.0451 (15)0.0043 (9)−0.0025 (10)0.0070 (10)
C170.0417 (12)0.0544 (13)0.0541 (16)0.0102 (10)−0.0007 (11)0.0045 (11)
C180.0450 (14)0.113 (2)0.099 (3)0.0262 (15)−0.0029 (15)−0.0208 (19)
C190.0514 (13)0.0721 (16)0.0612 (18)0.0214 (12)0.0105 (12)−0.0136 (13)
C1100.0592 (14)0.0610 (14)0.0535 (16)0.0145 (11)0.0129 (12)−0.0124 (11)
C210.0383 (10)0.0426 (11)0.0447 (14)0.0025 (8)0.0032 (10)−0.0043 (9)
C220.0504 (13)0.0581 (14)0.0614 (17)0.0163 (11)0.0015 (12)−0.0069 (11)
C230.0595 (16)0.0798 (19)0.082 (2)0.0246 (14)0.0113 (15)−0.0201 (16)
C240.085 (2)0.098 (2)0.064 (2)0.0240 (18)0.0213 (18)−0.0208 (17)
C250.0783 (18)0.0778 (18)0.0460 (17)0.0156 (14)0.0126 (14)−0.0012 (12)
C260.0537 (13)0.0511 (12)0.0416 (14)0.0069 (10)0.0086 (11)0.0011 (9)
C270.0619 (14)0.0519 (13)0.0405 (14)0.0094 (10)0.0024 (12)0.0076 (10)
C280.134 (3)0.0769 (19)0.060 (2)0.0308 (19)0.028 (2)0.0283 (15)
C290.0758 (16)0.0393 (11)0.0693 (19)0.0224 (11)0.0114 (14)0.0111 (11)
C2100.0668 (15)0.0379 (11)0.0677 (18)0.0112 (10)0.0103 (14)−0.0056 (10)
C410.0588 (15)0.0648 (15)0.0593 (18)−0.0048 (12)0.0068 (13)0.0128 (12)
C420.084 (2)0.0671 (17)0.072 (2)−0.0125 (14)0.0084 (17)0.0231 (14)
C430.121 (3)0.078 (2)0.060 (2)−0.0059 (18)−0.005 (2)0.0285 (15)
C440.095 (2)0.0613 (16)0.0581 (19)0.0064 (14)−0.0150 (16)0.0126 (13)
C450.0630 (15)0.0579 (14)0.0496 (16)0.0043 (11)−0.0065 (13)0.0078 (11)
Co20.04197 (16)0.03797 (15)0.03858 (18)0.00919 (11)0.00504 (13)−0.00022 (11)
N70.0491 (10)0.0443 (10)0.0533 (13)0.0097 (8)0.0023 (9)−0.0075 (8)
N80.0550 (11)0.0465 (10)0.0379 (11)0.0035 (8)0.0048 (9)0.0021 (8)
N510.0458 (10)0.0516 (10)0.0471 (12)0.0119 (8)0.0052 (9)−0.0082 (8)
N610.0529 (11)0.0444 (10)0.0512 (13)0.0148 (8)0.0027 (9)0.0075 (8)
O610.0459 (8)0.0521 (8)0.0382 (9)0.0135 (6)0.0057 (7)0.0036 (6)
O510.0520 (8)0.0413 (8)0.0432 (10)0.0145 (6)0.0011 (7)−0.0028 (6)
C510.0490 (12)0.0365 (10)0.0385 (13)0.0038 (8)0.0040 (10)0.0023 (8)
C520.0714 (16)0.0490 (13)0.0446 (15)0.0113 (11)0.0016 (13)−0.0052 (10)
C530.086 (2)0.0631 (16)0.0433 (16)0.0049 (14)0.0033 (15)−0.0109 (11)
C540.0702 (17)0.0763 (18)0.0431 (17)0.0037 (14)−0.0094 (13)−0.0007 (12)
C550.0529 (13)0.0639 (15)0.0525 (17)0.0040 (11)−0.0020 (12)0.0033 (12)
C560.0461 (11)0.0466 (12)0.0430 (14)0.0035 (9)0.0031 (10)0.0009 (9)
C570.0434 (12)0.0576 (13)0.0518 (16)0.0104 (10)0.0061 (11)−0.0044 (11)
C580.0480 (15)0.113 (2)0.096 (3)0.0253 (15)−0.0019 (15)−0.0371 (19)
C590.0539 (14)0.0749 (17)0.0665 (19)0.0213 (12)0.0065 (13)−0.0245 (13)
C5100.0580 (14)0.0609 (14)0.0572 (17)0.0133 (11)0.0072 (12)−0.0214 (12)
C610.0502 (13)0.0622 (14)0.0454 (15)0.0195 (11)0.0118 (11)0.0073 (11)
C620.093 (2)0.095 (2)0.0591 (19)0.0562 (18)0.0153 (16)0.0094 (15)
C630.163 (4)0.149 (4)0.073 (3)0.110 (3)0.033 (3)0.004 (2)
C640.180 (4)0.159 (4)0.059 (2)0.108 (3)0.041 (3)0.004 (2)
C650.110 (3)0.119 (3)0.0439 (18)0.051 (2)0.0218 (18)0.0124 (16)
C660.0612 (14)0.0675 (15)0.0441 (15)0.0203 (12)0.0134 (12)0.0119 (11)
C670.0563 (13)0.0605 (14)0.0434 (15)0.0102 (11)0.0025 (12)0.0134 (11)
C680.102 (2)0.084 (2)0.063 (2)0.0226 (17)0.0164 (18)0.0329 (16)
C690.0726 (16)0.0427 (12)0.078 (2)0.0189 (11)0.0082 (15)0.0132 (12)
C6100.0654 (15)0.0371 (11)0.080 (2)0.0096 (10)0.0069 (14)−0.0031 (11)
C810.0586 (15)0.0736 (17)0.0650 (19)−0.0049 (13)0.0120 (14)0.0136 (14)
C820.092 (2)0.079 (2)0.082 (2)−0.0112 (17)0.018 (2)0.0253 (17)
C830.114 (3)0.091 (2)0.058 (2)0.0042 (19)0.006 (2)0.0283 (16)
C850.0598 (14)0.0682 (15)0.0447 (16)0.0056 (12)0.0014 (12)0.0071 (11)
C840.093 (2)0.0795 (19)0.0522 (19)0.0147 (16)−0.0044 (16)0.0156 (14)
B10.0463 (13)0.0435 (13)0.0420 (15)0.0056 (10)0.0043 (12)0.0007 (10)
C1300.0432 (11)0.0379 (10)0.0467 (14)0.0070 (8)0.0040 (10)0.0012 (9)
C1310.0410 (11)0.0442 (11)0.0550 (15)0.0024 (9)0.0015 (10)0.0029 (10)
C1320.0507 (13)0.0496 (12)0.0598 (17)0.0024 (10)0.0120 (12)0.0115 (11)
C1330.0623 (15)0.0547 (13)0.0510 (16)0.0135 (11)0.0069 (13)0.0137 (11)
C1340.0529 (13)0.0572 (14)0.0504 (16)0.0033 (10)−0.0051 (12)0.0058 (11)
C1350.0454 (12)0.0512 (12)0.0509 (15)0.0015 (9)0.0036 (11)0.0058 (10)
C1400.0554 (13)0.0489 (12)0.0465 (15)0.0136 (10)0.0126 (11)0.0072 (10)
C1410.0805 (18)0.0485 (14)0.0657 (19)0.0148 (12)−0.0037 (15)−0.0007 (12)
C1420.122 (3)0.0484 (15)0.083 (2)0.0233 (16)−0.002 (2)−0.0063 (14)
C1430.144 (3)0.0550 (16)0.077 (2)0.0437 (19)0.019 (2)0.0043 (15)
C1440.118 (3)0.079 (2)0.071 (2)0.0495 (19)0.012 (2)0.0223 (17)
C1450.088 (2)0.0655 (16)0.0547 (18)0.0292 (14)0.0028 (15)0.0073 (12)
C1500.0469 (12)0.0424 (11)0.0457 (14)0.0021 (9)0.0026 (10)−0.0053 (9)
C1510.0589 (14)0.0566 (14)0.0524 (16)0.0003 (11)0.0105 (12)0.0023 (11)
C1520.0717 (18)0.0779 (19)0.066 (2)−0.0100 (15)0.0259 (16)−0.0026 (14)
C1530.0546 (16)0.096 (2)0.074 (2)0.0022 (15)0.0201 (15)−0.0285 (17)
C1540.0573 (15)0.0782 (18)0.072 (2)0.0213 (13)0.0011 (14)−0.0235 (15)
C1550.0554 (14)0.0559 (14)0.0558 (17)0.0098 (11)0.0050 (12)−0.0062 (11)
C1600.0468 (12)0.0512 (12)0.0421 (14)0.0063 (9)0.0037 (10)0.0070 (9)
C1610.0561 (13)0.0463 (12)0.0496 (15)0.0079 (10)−0.0005 (11)0.0022 (10)
C1620.0806 (19)0.0596 (15)0.0589 (19)0.0075 (13)−0.0118 (15)−0.0095 (12)
C1630.0692 (19)0.084 (2)0.072 (2)−0.0053 (15)−0.0217 (16)−0.0062 (16)
C1640.0479 (14)0.101 (2)0.064 (2)0.0022 (14)−0.0062 (14)0.0020 (16)
C1650.0507 (14)0.0830 (18)0.0525 (17)0.0099 (12)0.0015 (12)−0.0016 (13)
B20.0422 (12)0.0431 (13)0.0511 (17)0.0097 (10)0.0028 (12)0.0024 (11)
C2300.0408 (11)0.0406 (11)0.0533 (15)0.0102 (8)0.0023 (10)0.0023 (9)
C2310.0420 (11)0.0534 (13)0.0574 (16)0.0063 (9)0.0010 (11)0.0079 (11)
C2320.0497 (13)0.0651 (15)0.0568 (18)0.0136 (11)−0.0066 (12)0.0064 (12)
C2330.0641 (16)0.0625 (15)0.0547 (17)0.0172 (12)0.0041 (13)0.0143 (12)
C2340.0552 (14)0.0524 (13)0.0683 (19)0.0073 (11)0.0127 (13)0.0125 (12)
C2350.0458 (12)0.0440 (11)0.0592 (16)0.0062 (9)0.0014 (11)0.0034 (10)
C2400.0501 (12)0.0475 (12)0.0469 (14)0.0152 (9)0.0077 (11)0.0009 (10)
C2410.0737 (17)0.0538 (14)0.0575 (18)0.0205 (12)−0.0036 (14)−0.0005 (11)
C2420.114 (3)0.0530 (15)0.073 (2)0.0236 (16)−0.0107 (19)−0.0131 (14)
C2430.111 (2)0.0451 (14)0.080 (2)0.0285 (15)0.0046 (19)0.0001 (13)
C2440.116 (3)0.0588 (16)0.073 (2)0.0396 (16)−0.0122 (19)0.0053 (14)
C2450.098 (2)0.0522 (14)0.0556 (18)0.0277 (14)−0.0144 (15)−0.0019 (12)
C2500.0440 (11)0.0475 (11)0.0422 (13)0.0107 (9)0.0055 (10)0.0060 (9)
C2510.0483 (13)0.0729 (16)0.0501 (16)0.0146 (11)0.0032 (12)−0.0049 (12)
C2530.0597 (16)0.0787 (18)0.0499 (17)−0.0097 (13)−0.0008 (13)0.0024 (13)
C2540.0749 (18)0.0518 (14)0.0575 (18)−0.0004 (12)0.0060 (14)−0.0022 (11)
C2520.0440 (13)0.097 (2)0.0515 (17)0.0085 (13)0.0057 (12)0.0048 (14)
C2550.0533 (13)0.0453 (12)0.0540 (16)0.0098 (10)0.0066 (11)0.0050 (10)
C2600.0430 (11)0.0429 (11)0.0522 (15)0.0080 (9)−0.0001 (10)−0.0018 (9)
C2610.0563 (14)0.0589 (14)0.0599 (17)0.0168 (11)0.0097 (13)0.0076 (12)
C2620.0657 (17)0.0814 (19)0.066 (2)0.0152 (14)0.0195 (15)0.0079 (14)
C2630.0532 (15)0.090 (2)0.072 (2)0.0224 (14)0.0122 (14)−0.0105 (16)
C2640.0569 (15)0.0682 (16)0.073 (2)0.0291 (13)−0.0029 (14)−0.0090 (14)
C2650.0518 (13)0.0515 (13)0.0625 (17)0.0157 (10)0.0031 (12)0.0022 (11)
Geometric parameters (Å, °) top
Co1—O111.8633 (14)C66—C671.449 (3)
Co1—O211.8826 (14)C67—C681.509 (3)
Co1—N211.9067 (18)C68—H68A0.96
Co1—N111.9260 (18)C68—H68B0.96
Co1—N31.9760 (18)C68—H68C0.96
Co1—N42.0147 (17)C69—C6101.507 (4)
O11—C111.310 (3)C69—H69A0.97
O21—C211.321 (3)C69—H69B0.97
N3—C1101.482 (3)C610—H61A0.97
N3—C2101.490 (3)C610—H61B0.97
N3—H30.91C81—C821.521 (4)
N4—C411.466 (3)C81—H81A0.97
N4—C451.481 (3)C81—H81B0.97
N4—H40.91C82—C831.497 (5)
N11—C171.291 (3)C82—H82A0.97
N11—C191.478 (3)C82—H82B0.97
N21—C271.290 (3)C83—C841.523 (4)
N21—C291.472 (3)C83—H830.97
C11—C121.406 (3)C83—H83B0.97
C11—C161.415 (3)C85—C841.511 (4)
C12—C131.363 (4)C85—H85A0.97
C12—H120.93C85—H85B0.97
C13—C141.381 (4)C84—H84A0.97
C13—H130.93C84—H84B0.97
C14—C151.367 (4)B1—C1501.645 (3)
C14—H140.93B1—C1601.645 (3)
C15—C161.407 (3)B1—C1301.650 (3)
C15—H150.93B1—C1401.655 (3)
C16—C171.463 (3)C130—C1311.396 (3)
C17—C181.508 (3)C130—C1351.403 (3)
C18—H18A0.96C131—C1321.389 (3)
C18—H18B0.96C131—H1310.93
C18—H18C0.96C132—C1331.367 (4)
C19—C1101.511 (4)C132—H1320.93
C19—H19B0.97C133—C1341.379 (3)
C19—H19A0.97C133—H1330.93
C110—H11A0.97C134—C1351.377 (3)
C110—H11B0.97C134—H1340.93
C21—C221.398 (3)C135—H1350.93
C21—C261.411 (3)C140—C1411.393 (4)
C22—C231.377 (4)C140—C1451.399 (4)
C22—H220.93C141—C1421.378 (4)
C23—C241.369 (4)C141—H1410.93
C23—H230.93C142—C1431.364 (5)
C24—C251.368 (4)C142—H1420.93
C24—H240.93C143—C1441.367 (5)
C25—C261.406 (3)C143—H1430.93
C25—H250.93C144—C1451.391 (4)
C26—C271.461 (3)C144—H1440.93
C27—C281.504 (3)C145—H1450.93
C28—H28A0.96C150—C1511.389 (3)
C28—H28B0.96C150—C1551.402 (3)
C28—H28C0.96C151—C1521.389 (4)
C29—C2101.503 (4)C151—H1510.93
C29—H29A0.97C152—C1531.368 (4)
C29—H29B0.97C152—H1520.93
C210—H21A0.97C153—C1541.370 (4)
C210—H21B0.97C153—H1530.93
C41—C421.515 (4)C154—C1551.387 (3)
C41—H41A0.97C154—H1540.93
C41—H41B0.97C155—H1550.93
C42—C431.492 (4)C160—C1611.393 (3)
C42—H42A0.97C160—C1651.397 (3)
C42—H42B0.97C161—C1621.383 (4)
C43—C441.514 (4)C161—H1610.93
C43—H43A0.97C162—C1631.372 (4)
C43—H43B0.97C162—H1620.93
C44—C451.509 (3)C163—C1641.371 (4)
C44—H44B0.97C163—H1630.93
C44—H44A0.97C164—C1651.380 (4)
C45—H45A0.97C164—H1640.93
C45—H45B0.97C165—H1650.93
Co2—O511.8717 (15)B2—C2501.645 (3)
Co2—O611.8859 (15)B2—C2401.648 (3)
Co2—N611.9090 (19)B2—C2301.651 (4)
Co2—N511.9183 (18)B2—C2601.651 (3)
Co2—N71.9720 (18)C230—C2351.396 (3)
Co2—N82.0294 (18)C230—C2311.400 (3)
N7—C5101.486 (3)C231—C2321.380 (3)
N7—C6101.488 (3)C231—H2310.93
N7—H70.91C232—C2331.383 (3)
N8—C811.470 (3)C232—H2320.93
N8—C851.488 (3)C233—C2341.372 (4)
N8—H80.91C233—H2330.93
N51—C571.297 (3)C234—C2351.388 (4)
N51—C591.472 (3)C234—H2340.93
N61—C671.296 (3)C235—H2350.93
N61—C691.476 (3)C240—C2411.389 (3)
O61—C611.316 (3)C240—C2451.394 (3)
O51—C511.315 (3)C241—C2421.383 (4)
C51—C521.404 (3)C241—H2410.93
C51—C561.408 (3)C242—C2431.363 (4)
C52—C531.360 (4)C242—H2420.93
C52—H520.93C243—C2441.354 (4)
C53—C541.384 (4)C243—H2430.93
C53—H530.93C244—C2451.385 (4)
C54—C551.367 (4)C244—H2440.93
C54—H540.93C245—H2450.93
C55—C561.408 (3)C250—C2511.393 (3)
C55—H550.93C250—C2551.394 (3)
C56—C571.460 (3)C251—C2521.386 (4)
C57—C581.502 (3)C251—H2510.93
C58—H58A0.96C253—C2521.361 (4)
C58—H58B0.96C253—C2541.364 (4)
C58—H58C0.96C253—H2530.93
C59—C5101.514 (4)C254—C2551.381 (4)
C59—H59A0.97C254—H2540.93
C59—H59B0.97C252—H2520.93
C510—H51A0.97C255—H2550.93
C510—H51B0.97C260—C2611.392 (3)
C61—C621.391 (3)C260—C2651.395 (3)
C61—C661.410 (3)C261—C2621.382 (3)
C62—C631.372 (4)C261—H2610.93
C62—H620.93C262—C2631.356 (4)
C63—C641.365 (5)C262—H2620.93
C63—H630.93C263—C2641.373 (4)
C64—C651.368 (5)C263—H2630.93
C64—H640.93C264—C2651.392 (3)
C65—C661.404 (4)C264—H2640.93
C65—H650.93C265—H2650.93
O11—Co1—O2187.66 (6)C63—C62—H62119.8
O11—Co1—N2195.77 (7)C61—C62—H62119.8
O21—Co1—N2187.14 (7)C64—C63—C62121.2 (3)
O11—Co1—N1191.80 (7)C64—C63—H63119.4
O21—Co1—N11179.46 (8)C62—C63—H63119.4
N21—Co1—N1192.89 (8)C63—C64—C65119.9 (3)
O11—Co1—N3176.26 (7)C63—C64—H64120.1
O21—Co1—N396.03 (7)C65—C64—H64120.1
N21—Co1—N385.04 (8)C64—C65—C66120.7 (3)
N11—Co1—N384.51 (8)C64—C65—H65119.6
O11—Co1—N484.45 (7)C66—C65—H65119.6
O21—Co1—N483.94 (7)C65—C66—C61118.9 (2)
N21—Co1—N4171.06 (8)C65—C66—C67121.8 (2)
N11—Co1—N496.03 (8)C61—C66—C67119.0 (2)
N3—Co1—N495.32 (8)N61—C67—C66119.6 (2)
C11—O11—Co1122.28 (13)N61—C67—C68121.6 (2)
C21—O21—Co1116.91 (14)C66—C67—C68118.7 (2)
C110—N3—C210113.92 (18)C67—C68—H68A109.5
C110—N3—Co1106.78 (13)C67—C68—H68B109.5
C210—N3—Co1108.99 (15)H68A—C68—H68B109.5
C110—N3—H3109.0C67—C68—H68C109.5
C210—N3—H3109.0H68A—C68—H68C109.5
Co1—N3—H3109.0H68B—C68—H68C109.5
C41—N4—C45111.79 (19)N61—C69—C610104.45 (19)
C41—N4—Co1119.86 (15)N61—C69—H69A110.9
C45—N4—Co1117.22 (13)C610—C69—H69A110.9
C41—N4—H4101.2N61—C69—H69B110.9
C45—N4—H4101.2C610—C69—H69B110.9
Co1—N4—H4101.2H69A—C69—H69B108.9
C17—N11—C19119.27 (19)N7—C610—C69109.80 (19)
C17—N11—Co1126.48 (16)N7—C610—H61A109.7
C19—N11—Co1113.91 (15)C69—C610—H61A109.7
C27—N21—C29122.67 (19)N7—C610—H61B109.7
C27—N21—Co1125.59 (15)C69—C610—H61B109.7
C29—N21—Co1109.70 (15)H61A—C610—H61B108.2
O11—C11—C12117.4 (2)N8—C81—C82112.3 (2)
O11—C11—C16124.0 (2)N8—C81—H81A109.1
C12—C11—C16118.6 (2)C82—C81—H81A109.1
C13—C12—C11121.2 (3)N8—C81—H81B109.1
C13—C12—H12119.4C82—C81—H81B109.1
C11—C12—H12119.4H81A—C81—H81B107.9
C12—C13—C14120.8 (3)C83—C82—C81112.4 (3)
C12—C13—H13119.6C83—C82—H82A109.1
C14—C13—H13119.6C81—C82—H82A109.1
C15—C14—C13119.3 (3)C83—C82—H82B109.1
C15—C14—H14120.3C81—C82—H82B109.1
C13—C14—H14120.3H82A—C82—H82B107.8
C14—C15—C16122.1 (3)C82—C83—C84109.8 (3)
C14—C15—H15119.0C82—C83—H83109.7
C16—C15—H15119.0C84—C83—H83109.7
C15—C16—C11118.0 (2)C82—C83—H83B109.7
C15—C16—C17120.1 (2)C84—C83—H83B109.7
C11—C16—C17121.9 (2)H83—C83—H83B108.2
N11—C17—C16121.7 (2)N8—C85—C84112.5 (2)
N11—C17—C18119.8 (2)N8—C85—H85A109.1
C16—C17—C18118.6 (2)C84—C85—H85A109.1
C17—C18—H18A109.5N8—C85—H85B109.1
C17—C18—H18B109.5C84—C85—H85B109.1
H18A—C18—H18B109.5H85A—C85—H85B107.8
C17—C18—H18C109.5C85—C84—C83110.4 (3)
H18A—C18—H18C109.5C85—C84—H84A109.6
H18B—C18—H18C109.5C83—C84—H84A109.6
N11—C19—C110109.70 (18)C85—C84—H84B109.6
N11—C19—H19B109.7C83—C84—H84B109.6
C110—C19—H19B109.7H84A—C84—H84B108.1
N11—C19—H19A109.7C150—B1—C160107.98 (18)
C110—C19—H19A109.7C150—B1—C130110.75 (19)
H19B—C19—H19A108.2C160—B1—C130109.16 (17)
N3—C110—C19110.2 (2)C150—B1—C140108.36 (17)
N3—C110—H11A109.6C160—B1—C140111.98 (19)
C19—C110—H11A109.6C130—B1—C140108.62 (18)
N3—C110—H11B109.6C131—C130—C135114.0 (2)
C19—C110—H11B109.6C131—C130—B1124.2 (2)
H11A—C110—H11B108.1C135—C130—B1121.67 (18)
O21—C21—C22118.3 (2)C132—C131—C130123.1 (2)
O21—C21—C26122.83 (19)C132—C131—H131118.5
C22—C21—C26118.8 (2)C130—C131—H131118.5
C23—C22—C21120.4 (3)C133—C132—C131120.6 (2)
C23—C22—H22119.8C133—C132—H132119.7
C21—C22—H22119.8C131—C132—H132119.7
C24—C23—C22121.0 (3)C132—C133—C134118.5 (2)
C24—C23—H23119.5C132—C133—H133120.8
C22—C23—H23119.5C134—C133—H133120.8
C25—C24—C23120.0 (3)C135—C134—C133120.5 (2)
C25—C24—H24120.0C135—C134—H134119.8
C23—C24—H24120.0C133—C134—H134119.8
C24—C25—C26121.0 (3)C134—C135—C130123.3 (2)
C24—C25—H25119.5C134—C135—H135118.3
C26—C25—H25119.5C130—C135—H135118.3
C25—C26—C21118.8 (2)C141—C140—C145114.4 (2)
C25—C26—C27121.3 (2)C141—C140—B1121.2 (2)
C21—C26—C27119.4 (2)C145—C140—B1124.3 (2)
N21—C27—C26119.6 (2)C142—C141—C140123.1 (3)
N21—C27—C28121.3 (2)C142—C141—H141118.4
C26—C27—C28118.9 (2)C140—C141—H141118.4
C27—C28—H28A109.5C143—C142—C141120.9 (3)
C27—C28—H28B109.5C143—C142—H142119.5
H28A—C28—H28B109.5C141—C142—H142119.5
C27—C28—H28C109.5C142—C143—C144118.4 (3)
H28A—C28—H28C109.5C142—C143—H143120.8
H28B—C28—H28C109.5C144—C143—H143120.8
N21—C29—C210104.22 (18)C143—C144—C145120.8 (3)
N21—C29—H29A110.9C143—C144—H144119.6
C210—C29—H29A110.9C145—C144—H144119.6
N21—C29—H29B110.9C144—C145—C140122.4 (3)
C210—C29—H29B110.9C144—C145—H145118.8
H29A—C29—H29B108.9C140—C145—H145118.8
N3—C210—C29109.71 (19)C151—C150—C155114.7 (2)
N3—C210—H21A109.7C151—C150—B1121.9 (2)
C29—C210—H21A109.7C155—C150—B1123.1 (2)
N3—C210—H21B109.7C150—C151—C152123.1 (3)
C29—C210—H21B109.7C150—C151—H151118.4
H21A—C210—H21B108.2C152—C151—H151118.4
N4—C41—C42112.6 (2)C153—C152—C151120.0 (3)
N4—C41—H41A109.1C153—C152—H152120.0
C42—C41—H41A109.1C151—C152—H152120.0
N4—C41—H41B109.1C152—C153—C154119.3 (3)
C42—C41—H41B109.1C152—C153—H153120.4
H41A—C41—H41B107.8C154—C153—H153120.4
C43—C42—C41111.6 (2)C153—C154—C155120.2 (3)
C43—C42—H42A109.3C153—C154—H154119.9
C41—C42—H42A109.3C155—C154—H154119.9
C43—C42—H42B109.3C154—C155—C150122.6 (3)
C41—C42—H42B109.3C154—C155—H155118.7
H42A—C42—H42B108.0C150—C155—H155118.7
C42—C43—C44110.6 (3)C161—C160—C165114.2 (2)
C42—C43—H43A109.5C161—C160—B1123.5 (2)
C44—C43—H43A109.5C165—C160—B1122.3 (2)
C42—C43—H43B109.5C162—C161—C160123.1 (2)
C44—C43—H43B109.5C162—C161—H161118.5
H43A—C43—H43B108.1C160—C161—H161118.5
C45—C44—C43110.7 (3)C163—C162—C161120.1 (3)
C45—C44—H44B109.5C163—C162—H162120.0
C43—C44—H44B109.5C161—C162—H162120.0
C45—C44—H44A109.5C164—C163—C162119.4 (3)
C43—C44—H44A109.5C164—C163—H163120.3
H44B—C44—H44A108.1C162—C163—H163120.3
N4—C45—C44112.6 (2)C163—C164—C165119.5 (3)
N4—C45—H45A109.1C163—C164—H164120.2
C44—C45—H45A109.1C165—C164—H164120.2
N4—C45—H45B109.1C164—C165—C160123.7 (3)
C44—C45—H45B109.1C164—C165—H165118.1
H45A—C45—H45B107.8C160—C165—H165118.1
O51—Co2—O6188.02 (6)C250—B2—C240111.11 (19)
O51—Co2—N6196.54 (8)C250—B2—C230108.09 (18)
O61—Co2—N6187.10 (7)C240—B2—C230110.83 (19)
O51—Co2—N5191.05 (7)C250—B2—C260108.47 (18)
O61—Co2—N51179.01 (8)C240—B2—C260108.24 (18)
N61—Co2—N5192.68 (8)C230—B2—C260110.08 (18)
O51—Co2—N7175.38 (7)C235—C230—C231114.5 (2)
O61—Co2—N796.42 (7)C235—C230—B2123.6 (2)
N61—Co2—N785.01 (8)C231—C230—B2121.82 (19)
N51—Co2—N784.52 (8)C232—C231—C230123.1 (2)
O51—Co2—N884.50 (7)C232—C231—H231118.4
O61—Co2—N883.75 (7)C230—C231—H231118.4
N61—Co2—N8170.75 (8)C231—C232—C233120.5 (2)
N51—Co2—N896.49 (8)C231—C232—H232119.7
N7—Co2—N894.67 (8)C233—C232—H232119.7
C510—N7—C610113.80 (19)C234—C233—C232118.2 (2)
C510—N7—Co2106.39 (13)C234—C233—H233120.9
C610—N7—Co2109.53 (16)C232—C233—H233120.9
C510—N7—H7109.0C233—C234—C235120.9 (2)
C610—N7—H7109.0C233—C234—H234119.6
Co2—N7—H7109.0C235—C234—H234119.6
C81—N8—C85111.46 (19)C234—C235—C230122.8 (2)
C81—N8—Co2120.86 (16)C234—C235—H235118.6
C85—N8—Co2117.06 (14)C230—C235—H235118.6
C81—N8—H8101.0C241—C240—C245113.6 (2)
C85—N8—H8101.0C241—C240—B2123.6 (2)
Co2—N8—H8101.0C245—C240—B2122.6 (2)
C57—N51—C59119.18 (19)C242—C241—C240122.8 (3)
C57—N51—Co2126.41 (15)C242—C241—H241118.6
C59—N51—Co2114.11 (15)C240—C241—H241118.6
C67—N61—C69122.9 (2)C243—C242—C241121.2 (3)
C67—N61—Co2125.09 (16)C243—C242—H242119.4
C69—N61—Co2109.77 (16)C241—C242—H242119.4
C61—O61—Co2115.70 (15)C244—C243—C242118.2 (3)
C51—O51—Co2121.60 (12)C244—C243—H243120.9
O51—C51—C52117.8 (2)C242—C243—H243120.9
O51—C51—C56123.63 (19)C243—C244—C245120.4 (3)
C52—C51—C56118.5 (2)C243—C244—H244119.8
C53—C52—C51121.3 (2)C245—C244—H244119.8
C53—C52—H52119.4C244—C245—C240123.7 (3)
C51—C52—H52119.4C244—C245—H245118.1
C52—C53—C54120.7 (2)C240—C245—H245118.1
C52—C53—H53119.6C251—C250—C255113.8 (2)
C54—C53—H53119.6C251—C250—B2122.7 (2)
C55—C54—C53119.4 (3)C255—C250—B2123.3 (2)
C55—C54—H54120.3C252—C251—C250123.4 (2)
C53—C54—H54120.3C252—C251—H251118.3
C54—C55—C56121.6 (3)C250—C251—H251118.3
C54—C55—H55119.2C252—C253—C254119.0 (3)
C56—C55—H55119.2C252—C253—H253120.5
C55—C56—C51118.5 (2)C254—C253—H253120.5
C55—C56—C57119.9 (2)C253—C254—C255120.4 (3)
C51—C56—C57121.6 (2)C253—C254—H254119.8
N51—C57—C56121.5 (2)C255—C254—H254119.8
N51—C57—C58120.2 (2)C253—C252—C251120.1 (3)
C56—C57—C58118.3 (2)C253—C252—H252119.9
C57—C58—H58A109.5C251—C252—H252119.9
C57—C58—H58B109.5C254—C255—C250123.3 (2)
H58A—C58—H58B109.5C254—C255—H255118.4
C57—C58—H58C109.5C250—C255—H255118.4
H58A—C58—H58C109.5C261—C260—C265114.7 (2)
H58B—C58—H58C109.5C261—C260—B2122.0 (2)
N51—C59—C510109.59 (18)C265—C260—B2123.1 (2)
N51—C59—H59A109.8C262—C261—C260122.9 (2)
C510—C59—H59A109.8C262—C261—H261118.6
N51—C59—H59B109.8C260—C261—H261118.6
C510—C59—H59B109.8C263—C262—C261120.7 (3)
H59A—C59—H59B108.2C263—C262—H262119.6
N7—C510—C59109.9 (2)C261—C262—H262119.6
N7—C510—H51A109.7C262—C263—C264119.0 (2)
C59—C510—H51A109.7C262—C263—H263120.5
N7—C510—H51B109.7C264—C263—H263120.5
C59—C510—H51B109.7C263—C264—C265120.0 (2)
H51A—C510—H51B108.2C263—C264—H264120.0
O61—C61—C62118.2 (2)C265—C264—H264120.0
O61—C61—C66123.1 (2)C264—C265—C260122.6 (2)
C62—C61—C66118.7 (2)C264—C265—H265118.7
C63—C62—C61120.5 (3)C260—C265—H265118.7
O21—Co1—O11—C11−142.51 (15)Co2—N51—C57—C58178.6 (2)
N21—Co1—O11—C11−55.62 (16)C55—C56—C57—N51164.2 (2)
N11—Co1—O11—C1137.47 (16)C51—C56—C57—N51−17.6 (3)
N4—Co1—O11—C11133.36 (16)C55—C56—C57—C58−15.2 (4)
O11—Co1—O21—C2141.59 (14)C51—C56—C57—C58163.0 (2)
N21—Co1—O21—C21−54.31 (14)C57—N51—C59—C510177.5 (2)
N3—Co1—O21—C21−139.01 (14)Co2—N51—C59—C5103.5 (3)
N4—Co1—O21—C21126.25 (15)C610—N7—C510—C59−78.7 (3)
O21—Co1—N3—C110−148.59 (15)Co2—N7—C510—C5942.0 (2)
N21—Co1—N3—C110124.83 (16)N51—C59—C510—N7−30.1 (3)
N11—Co1—N3—C11031.43 (16)Co2—O61—C61—C62138.9 (2)
N4—Co1—N3—C110−64.14 (16)Co2—O61—C61—C66−42.7 (3)
O21—Co1—N3—C21087.94 (15)O61—C61—C62—C63−179.0 (3)
N21—Co1—N3—C2101.35 (15)C66—C61—C62—C632.5 (5)
N11—Co1—N3—C210−92.05 (15)C61—C62—C63—C640.1 (7)
N4—Co1—N3—C210172.38 (15)C62—C63—C64—C65−2.3 (8)
O11—Co1—N4—C41−76.23 (18)C63—C64—C65—C661.9 (7)
O21—Co1—N4—C41−164.46 (18)C64—C65—C66—C610.7 (5)
N11—Co1—N4—C4115.00 (19)C64—C65—C66—C67−173.1 (4)
N3—Co1—N4—C41100.02 (18)O61—C61—C66—C65178.8 (3)
O11—Co1—N4—C45142.82 (17)C62—C61—C66—C65−2.8 (4)
O21—Co1—N4—C4554.59 (17)O61—C61—C66—C67−7.3 (4)
N11—Co1—N4—C45−125.95 (17)C62—C61—C66—C67171.1 (3)
N3—Co1—N4—C45−40.93 (17)C69—N61—C67—C66−158.6 (2)
O11—Co1—N11—C17−22.7 (2)Co2—N61—C67—C662.6 (4)
N21—Co1—N11—C1773.2 (2)C69—N61—C67—C6816.5 (4)
N3—Co1—N11—C17157.9 (2)Co2—N61—C67—C68177.7 (2)
N4—Co1—N11—C17−107.3 (2)C65—C66—C67—N61−157.0 (3)
O11—Co1—N11—C19164.13 (17)C61—C66—C67—N6129.2 (4)
N21—Co1—N11—C19−99.99 (18)C65—C66—C67—C6827.8 (4)
N3—Co1—N11—C19−15.26 (17)C61—C66—C67—C68−145.9 (3)
N4—Co1—N11—C1979.53 (18)C67—N61—C69—C610116.0 (3)
O11—Co1—N21—C27−48.3 (2)Co2—N61—C69—C610−47.7 (2)
O21—Co1—N21—C2739.0 (2)C510—N7—C610—C6994.6 (2)
N11—Co1—N21—C27−140.4 (2)Co2—N7—C610—C69−24.3 (2)
N3—Co1—N21—C27135.3 (2)N61—C69—C610—N745.9 (3)
O11—Co1—N21—C29147.64 (16)C85—N8—C81—C8252.9 (3)
O21—Co1—N21—C29−125.00 (16)Co2—N8—C81—C82−163.5 (2)
N11—Co1—N21—C2955.54 (16)N8—C81—C82—C83−54.0 (4)
N3—Co1—N21—C29−28.69 (16)C81—C82—C83—C8454.4 (4)
Co1—O11—C11—C12148.64 (16)C81—N8—C85—C84−55.1 (3)
Co1—O11—C11—C16−33.6 (3)Co2—N8—C85—C84159.87 (19)
O11—C11—C12—C13177.4 (2)N8—C85—C84—C8356.3 (3)
C16—C11—C12—C13−0.5 (3)C82—C83—C84—C85−55.3 (4)
C11—C12—C13—C140.1 (4)C150—B1—C130—C131142.0 (2)
C12—C13—C14—C150.1 (5)C160—B1—C130—C13123.2 (3)
C13—C14—C15—C160.2 (4)C140—B1—C130—C131−99.2 (2)
C14—C15—C16—C11−0.5 (4)C150—B1—C130—C135−42.0 (3)
C14—C15—C16—C17179.6 (3)C160—B1—C130—C135−160.77 (19)
O11—C11—C16—C15−177.1 (2)C140—B1—C130—C13576.9 (2)
C12—C11—C16—C150.7 (3)C135—C130—C131—C132−2.4 (3)
O11—C11—C16—C172.8 (3)B1—C130—C131—C132173.9 (2)
C12—C11—C16—C17−179.5 (2)C130—C131—C132—C1331.4 (4)
C19—N11—C17—C16174.9 (2)C131—C132—C133—C1340.3 (4)
Co1—N11—C17—C162.1 (3)C132—C133—C134—C135−0.8 (4)
C19—N11—C17—C18−4.9 (4)C133—C134—C135—C130−0.4 (4)
Co1—N11—C17—C18−177.7 (2)C131—C130—C135—C1341.9 (3)
C15—C16—C17—N11−166.4 (2)B1—C130—C135—C134−174.5 (2)
C11—C16—C17—N1113.8 (3)C150—B1—C140—C14172.0 (3)
C15—C16—C17—C1813.4 (4)C160—B1—C140—C141−169.0 (2)
C11—C16—C17—C18−166.4 (2)C130—B1—C140—C141−48.4 (3)
C17—N11—C19—C110−178.3 (2)C150—B1—C140—C145−103.9 (3)
Co1—N11—C19—C110−4.6 (3)C160—B1—C140—C14515.1 (3)
C210—N3—C110—C1978.7 (2)C130—B1—C140—C145135.7 (2)
Co1—N3—C110—C19−41.6 (2)C145—C140—C141—C1420.8 (4)
N11—C19—C110—N330.5 (3)B1—C140—C141—C142−175.5 (3)
Co1—O21—C21—C22−140.95 (17)C140—C141—C142—C143−1.8 (5)
Co1—O21—C21—C2640.8 (2)C141—C142—C143—C1441.2 (5)
O21—C21—C22—C23−179.7 (2)C142—C143—C144—C1450.3 (5)
C26—C21—C22—C23−1.5 (3)C143—C144—C145—C140−1.3 (5)
C21—C22—C23—C240.3 (4)C141—C140—C145—C1440.8 (4)
C22—C23—C24—C251.2 (5)B1—C140—C145—C144176.9 (3)
C23—C24—C25—C26−1.5 (5)C160—B1—C150—C151−89.3 (3)
C24—C25—C26—C210.3 (4)C130—B1—C150—C151151.3 (2)
C24—C25—C26—C27172.3 (3)C140—B1—C150—C15132.2 (3)
O21—C21—C26—C25179.4 (2)C160—B1—C150—C15584.1 (3)
C22—C21—C26—C251.2 (3)C130—B1—C150—C155−35.4 (3)
O21—C21—C26—C277.1 (3)C140—B1—C150—C155−154.4 (2)
C22—C21—C26—C27−171.1 (2)C155—C150—C151—C152−1.2 (4)
C29—N21—C27—C26156.0 (2)B1—C150—C151—C152172.7 (2)
Co1—N21—C27—C26−6.1 (3)C150—C151—C152—C1531.1 (4)
C29—N21—C27—C28−18.7 (4)C151—C152—C153—C154−0.9 (5)
Co1—N21—C27—C28179.2 (2)C152—C153—C154—C1550.9 (4)
C25—C26—C27—N21161.9 (3)C153—C154—C155—C150−1.0 (4)
C21—C26—C27—N21−26.1 (3)C151—C150—C155—C1541.1 (4)
C25—C26—C27—C28−23.4 (4)B1—C150—C155—C154−172.7 (2)
C21—C26—C27—C28148.7 (3)C150—B1—C160—C161−17.8 (3)
C27—N21—C29—C210−116.2 (3)C130—B1—C160—C161102.7 (2)
Co1—N21—C29—C21048.4 (2)C140—B1—C160—C161−137.0 (2)
C110—N3—C210—C29−93.5 (2)C150—B1—C160—C165164.7 (2)
Co1—N3—C210—C2925.6 (2)C130—B1—C160—C165−74.9 (3)
N21—C29—C210—N3−47.2 (2)C140—B1—C160—C16545.5 (3)
C45—N4—C41—C42−53.1 (3)C165—C160—C161—C1620.9 (4)
Co1—N4—C41—C42164.0 (2)B1—C160—C161—C162−176.8 (2)
N4—C41—C42—C4354.2 (4)C160—C161—C162—C163−0.4 (4)
C41—C42—C43—C44−54.5 (4)C161—C162—C163—C164−0.4 (5)
C42—C43—C44—C4554.9 (4)C162—C163—C164—C1650.5 (5)
C41—N4—C45—C4454.0 (3)C163—C164—C165—C1600.1 (5)
Co1—N4—C45—C44−162.08 (19)C161—C160—C165—C164−0.8 (4)
C43—C44—C45—N4−54.8 (3)B1—C160—C165—C164176.9 (3)
O61—Co2—N7—C510147.97 (16)C250—B2—C230—C235−14.2 (3)
N61—Co2—N7—C510−125.53 (17)C240—B2—C230—C235107.8 (2)
N51—Co2—N7—C510−32.34 (17)C260—B2—C230—C235−132.5 (2)
N8—Co2—N7—C51063.75 (17)C250—B2—C230—C231167.79 (19)
O61—Co2—N7—C610−88.62 (15)C240—B2—C230—C231−70.2 (3)
N61—Co2—N7—C610−2.11 (15)C260—B2—C230—C23149.5 (3)
N51—Co2—N7—C61091.07 (16)C235—C230—C231—C232−1.7 (3)
N8—Co2—N7—C610−172.83 (15)B2—C230—C231—C232176.5 (2)
O51—Co2—N8—C8178.03 (19)C230—C231—C232—C2330.6 (4)
O61—Co2—N8—C81166.63 (19)C231—C232—C233—C2340.7 (4)
N51—Co2—N8—C81−12.40 (19)C232—C233—C234—C235−0.8 (4)
N7—Co2—N8—C81−97.40 (19)C233—C234—C235—C230−0.4 (4)
O51—Co2—N8—C85−140.36 (17)C231—C230—C235—C2341.6 (3)
O61—Co2—N8—C85−51.76 (16)B2—C230—C235—C234−176.6 (2)
N51—Co2—N8—C85129.21 (17)C250—B2—C240—C241156.6 (2)
N7—Co2—N8—C8544.20 (17)C230—B2—C240—C24136.4 (3)
O51—Co2—N51—C5724.3 (2)C260—B2—C240—C241−84.4 (3)
N61—Co2—N51—C57−72.3 (2)C250—B2—C240—C245−29.1 (3)
N7—Co2—N51—C57−157.0 (2)C230—B2—C240—C245−149.3 (2)
N8—Co2—N51—C57108.9 (2)C260—B2—C240—C24589.9 (3)
O51—Co2—N51—C59−162.18 (19)C245—C240—C241—C2420.4 (4)
N61—Co2—N51—C59101.23 (19)B2—C240—C241—C242175.2 (3)
N7—Co2—N51—C5916.51 (19)C240—C241—C242—C2431.1 (5)
N8—Co2—N51—C59−77.59 (19)C241—C242—C243—C244−1.6 (5)
O51—Co2—N61—C6749.8 (2)C242—C243—C244—C2450.6 (5)
O61—Co2—N61—C67−37.8 (2)C243—C244—C245—C2401.0 (5)
N51—Co2—N61—C67141.2 (2)C241—C240—C245—C244−1.5 (4)
N7—Co2—N61—C67−134.5 (2)B2—C240—C245—C244−176.3 (3)
O51—Co2—N61—C69−146.86 (16)C240—B2—C250—C251−40.4 (3)
O61—Co2—N61—C69125.48 (16)C230—B2—C250—C25181.4 (3)
N51—Co2—N61—C69−55.49 (17)C260—B2—C250—C251−159.3 (2)
N7—Co2—N61—C6928.76 (16)C240—B2—C250—C255145.2 (2)
O51—Co2—O61—C61−41.09 (16)C230—B2—C250—C255−93.0 (2)
N61—Co2—O61—C6155.56 (16)C260—B2—C250—C25526.3 (3)
N7—Co2—O61—C61140.20 (16)C255—C250—C251—C2521.5 (4)
N8—Co2—O61—C61−125.78 (16)B2—C250—C251—C252−173.4 (2)
O61—Co2—O51—C51139.23 (15)C252—C253—C254—C255−0.1 (4)
N61—Co2—O51—C5152.38 (16)C254—C253—C252—C251−0.2 (4)
N51—Co2—O51—C51−40.44 (16)C250—C251—C252—C253−0.6 (4)
N8—Co2—O51—C51−136.86 (16)C253—C254—C255—C2501.1 (4)
Co2—O51—C51—C52−148.37 (16)C251—C250—C255—C254−1.7 (4)
Co2—O51—C51—C5635.1 (3)B2—C250—C255—C254173.1 (2)
O51—C51—C52—C53−177.1 (2)C250—B2—C260—C26184.6 (3)
C56—C51—C52—C53−0.3 (3)C240—B2—C260—C261−36.0 (3)
C51—C52—C53—C54−0.9 (4)C230—B2—C260—C261−157.3 (2)
C52—C53—C54—C551.2 (4)C250—B2—C260—C265−90.6 (3)
C53—C54—C55—C56−0.4 (4)C240—B2—C260—C265148.8 (2)
C54—C55—C56—C51−0.8 (4)C230—B2—C260—C26527.5 (3)
C54—C55—C56—C57177.4 (2)C265—C260—C261—C2620.2 (4)
O51—C51—C56—C55177.7 (2)B2—C260—C261—C262−175.4 (2)
C52—C51—C56—C551.2 (3)C260—C261—C262—C263−0.4 (5)
O51—C51—C56—C57−0.5 (3)C261—C262—C263—C2640.7 (5)
C52—C51—C56—C57−177.0 (2)C262—C263—C264—C265−0.9 (5)
C59—N51—C57—C56−174.0 (2)C263—C264—C265—C2600.7 (4)
Co2—N51—C57—C56−0.8 (3)C261—C260—C265—C264−0.3 (4)
C59—N51—C57—C585.4 (4)B2—C260—C265—C264175.2 (2)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
C45—H45B···O210.972.372.932 (3)116
C85—H85A···O610.972.332.907 (3)117
C135—H135···O210.932.583.289 (3)133
C231—H231···O610.932.543.261 (3)135
C18—H18C···Cg1i0.962.983.559 (3)120
C610—H61A···Cg10.972.943.886 (2)165
C45—H45A···Cg20.973.003.658 (3)126
C210—H21B···Cg30.972.983.898 (2)158
Symmetry codes: (i) x−1, y, z.
Table 1
Selected geometric parameters (Å, °) top
Co1—O111.8633 (14)Co1—N111.9260 (18)
Co1—O211.8826 (14)Co1—N31.9760 (18)
Co1—N211.9067 (18)Co1—N42.0147 (17)
O11—Co1—O2187.66 (6)N21—Co1—N385.04 (8)
O11—Co1—N2195.77 (7)N11—Co1—N384.51 (8)
O21—Co1—N2187.14 (7)O11—Co1—N484.45 (7)
O11—Co1—N1191.80 (7)O21—Co1—N483.94 (7)
O21—Co1—N11179.46 (8)N21—Co1—N4171.06 (8)
N21—Co1—N1192.89 (8)N11—Co1—N496.03 (8)
O11—Co1—N3176.26 (7)N3—Co1—N495.32 (8)
O21—Co1—N396.03 (7)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
C45—H45B···O210.972.372.932 (3)116
C85—H85A···O610.972.332.907 (3)117
C135—H135···O210.932.583.289 (3)133
C231—H231···O610.932.543.261 (3)135
C18—H18C···Cg1i0.962.983.559 (3)120
C610—H61A···Cg10.972.943.886 (2)165
C45—H45A···Cg20.973.003.658 (3)126
C210—H21B···Cg30.972.983.898 (2)158
Symmetry codes: (i) x−1, y, z.
Acknowledgements top

Partial support of this work by the Isfahan University of Technology Research Council through grant No. 1CHD832 is gratefully appreciated.

references
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