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In both title compounds, (acetyl­acetonato-O,O')­bis(3-cyano­pyridine-N)­nickel(II), (I), and (acetyl­acetonato-O,O')­bis(4-cyanopyridine-N)­nickel(II), (II), both [Ni(C5­H7O2)2(C6H4N2)2], the NiII atom, which is situated on a centre of symmetry, is octahedrally coordinated. Distances and angles for (I) and (II), respectively, are: Ni-O 2.009 (2)/2.016 (2) and 2.0110 (16)/2.0238 (18) Å, Ni-N 2.116 (3) and 2.179 (2) Å, O-Ni-O 91.86 (10) and 90.19 (7)°, and O-Ni-N 91.27 (11)/90.19 (11) and 89.65 (8)/90.79 (7)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100004662/gs1082sup1.cif
Contains datablocks global, I, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100004662/gs1082Isup2.hkl
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100004662/gs1082IIsup3.hkl
Contains datablock II

CCDC references: 147610; 147611

Comment top

Adducts of NiII acetylacetonate (AcAc) chelate with heterocyclic bases were synthesized with the aim of establishing correlations between the bond energies and other thermochemical parameters (Dunstan, 1998). Among these compounds, of general formula [Ni(AcAc)2·2L], were those with L = 3-cyanopyridine, (I), and 4-cyanopyridine, (II). Based on the ΔrHθ (standard enthalpy of the acid/base reaction) values of these adducts, Dunstan (1998) ascertained that the basicity order was 4-cyanopyridine > 3-cyanopyridine, instead of the reverse, expected, order. It was then postulated that this could be due to the contribution of another kind of interaction such as hydrogen bonding between the N atom of the cyano group and C atoms of the AcAc moiety. In order to study this possibility, crystal structure determinations were undertaken. \sch

In both compounds, the AcAc moiety is planar, to within experimental accuracy, the r.m.s. deviation of the seven atoms being 0.012 and 0.016 Å for (I) and (II), respectively. The NiII atom does not lie in the plane of the AcAc residue but 0.247 (4) and 0.139 (3) Å from it, for (I) and (II), respectively. The NiII atom is sited on a centre of symmetry and is octahedrally bonded to two equatorial AcAc groups and two 3-cyanopyridine [(I)] and two 4-cyanopyridine [(II)] groups, which are axially coordinated in a trans configuration. The Ni—OAcAc distances in (II) of 2.0110 (16) and 2.0238 (18) Å give rise to tetragonal distortion; this is less important in (I), for which the Ni—OAcAc distances are 2.009 (2) and 2.016 (2) Å.

In the solid state no short intramolecular distances were found. The shortest intermolecular distances found for the N atom of the cyano group and C atoms of the AcAc moiety are N2···H1Ai = 2.90 and N2···C1i = 3.832 (6) Å, and N2···H1Ai—C1i = 164° for (I), and N2···H5Cii = 2.65 and N2···C5ii = 3.533 (4) Å, and N2···H5Cii—C5ii = 153° for (II). Moreover, there is an additional interaction in (I) involving a phenyl H-atom, with N2···H9iii = 2.79 and N2···C9iii = 3.503 (6) Å, and N2···C9iii—H9iii = 134° [symmetry codes: (i) 3/2 − x, −1/2 + y, 1 − z; (ii) 1 − x, −1 − y, 1 − z; (iii) −1/2 + x, 1/2 − y, −1 + z].

Whether these interactions are true hydrogen bonds is difficult to assert because, as pointed out by Cotton et al. (1997), `the field is getting muddier and muddier as the definition of a hydrogen bond is relaxed'. In any case, in (II) the N···H distance is marginally shorter than the sum of the van der Waals radii of H and N (2.7 Å).

Experimental top

Crystals of both compounds were obtained by slow evaporation from ethanol at 277 K.

Refinement top

H atoms were located on stereochemical grounds and refined with fixed geometry, each riding on a carrier atom, with an isotropic displacement parameter amounting to 1.5 (for methyl H atoms) or 1.2 (for the other H atoms) times the value of the equivalent isotropic displacement parameter of the atom to which they were attached.

Computing details top

For both compounds, data collection: CAD-4 Software (Enraf-Nonius,1989); cell refinement: CAD-4 Software; data reduction: MolEN (Fair, 1990); program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP (Zsolnai, 1995); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. The molecular structure of (I) showing the atom-labelling scheme. Displacement ellipsoids are shown at the 50% probability level.
[Figure 2] Fig. 2. The molecular structure of (II) showing the atom-labelling scheme. Displacement ellipsoids are shown at the 50% probability level.
(I) top
Crystal data top
[Ni(C5H7O2)2(C6H4N2)2]F(000) = 484.0
Mr = 465.14Dx = 1.398 Mg m3
Monoclinic, P21/aMo Kα radiation, λ = 0.71073 Å
a = 7.8295 (6) ÅCell parameters from 25 reflections
b = 19.3334 (18) Åθ = 8.9–12.9°
c = 8.1244 (10) ŵ = 0.91 mm1
β = 116.019 (8)°T = 293 K
V = 1105.16 (19) Å3Irregular, blue
Z = 20.20 × 0.18 × 0.05 mm
Data collection top
Enraf-Nonius CAD4
diffractometer
1131 reflections with F2 > 2σF2
Radiation source: fine-focus sealed tubeRint = 0.022
Graphite monochromatorθmax = 27.5°
ω/2θ scansh = 100
Absorption correction: ψ-scan
(North et al., 1968)
k = 025
Tmin = 0.839, Tmax = 0.956l = 910
2737 measured reflections3 standard reflections every 30 min
2529 independent reflections intensity decay: 0.8%
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)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H-atom parameters constrained
S = 0.95Calculated w = 1/[σ2(Fo2) + (0.0418P)2]
where P = (Fo2 + 2Fc2)/3
2529 reflections(Δ/σ)max < 0.001
144 parametersΔρmax = 0.27 e Å3
0 restraintsΔρmin = 0.59 e Å3
Crystal data top
[Ni(C5H7O2)2(C6H4N2)2]V = 1105.16 (19) Å3
Mr = 465.14Z = 2
Monoclinic, P21/aMo Kα radiation
a = 7.8295 (6) ŵ = 0.91 mm1
b = 19.3334 (18) ÅT = 293 K
c = 8.1244 (10) Å0.20 × 0.18 × 0.05 mm
β = 116.019 (8)°
Data collection top
Enraf-Nonius CAD4
diffractometer
1131 reflections with F2 > 2σF2
Absorption correction: ψ-scan
(North et al., 1968)
Rint = 0.022
Tmin = 0.839, Tmax = 0.9563 standard reflections every 30 min
2737 measured reflections intensity decay: 0.8%
2529 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0450 restraints
wR(F2) = 0.115H-atom parameters constrained
S = 0.95Δρmax = 0.27 e Å3
2529 reflectionsΔρmin = 0.59 e Å3
144 parameters
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 on F2 for ALL reflections. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating R-factor-obs 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
Ni1/21/21/20.0437 (2)
N10.5981 (4)0.39799 (16)0.5000 (4)0.0465 (8)
N20.6458 (7)0.2566 (2)0.0414 (6)0.0910 (14)
O10.7482 (3)0.52655 (13)0.7096 (3)0.0501 (7)
O20.5928 (4)0.52834 (13)0.3144 (3)0.0514 (7)
C11.0398 (5)0.5839 (2)0.8702 (5)0.0673 (13)
H1A1.00300.62370.91760.101*
H1B1.14710.59540.84770.101*
H1C1.07360.54700.95770.101*
C20.8758 (5)0.56139 (19)0.6930 (5)0.0478 (10)
C30.8762 (6)0.5805 (2)0.5280 (6)0.0561 (11)
H30.97670.60810.53600.067*
C40.7418 (6)0.56265 (18)0.3512 (6)0.0489 (10)
C50.7715 (7)0.5869 (2)0.1899 (6)0.0763 (14)
H5A0.72100.55330.09350.114*
H5B0.90500.59280.22610.114*
H5C0.70750.63030.14700.114*
C60.5906 (5)0.3700 (2)0.3473 (5)0.0488 (10)
H60.54090.39600.24020.059*
C70.6537 (5)0.3040 (2)0.3418 (5)0.0477 (10)
C80.7266 (6)0.2645 (2)0.4990 (6)0.0646 (13)
H80.76940.21970.49810.078*
C90.7342 (6)0.2927 (2)0.6551 (6)0.0698 (13)
H90.78220.26750.76350.084*
C100.6701 (6)0.3590 (2)0.6508 (5)0.0559 (11)
H100.67730.37790.75900.067*
C110.6471 (6)0.2771 (2)0.1729 (7)0.0618 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni0.0470 (4)0.0449 (4)0.0366 (3)0.0093 (4)0.0159 (3)0.0015 (4)
N10.0474 (18)0.0511 (19)0.0377 (17)0.0056 (16)0.0156 (15)0.0019 (16)
N20.107 (3)0.091 (3)0.089 (3)0.022 (3)0.057 (3)0.034 (3)
O10.0479 (15)0.0553 (17)0.0417 (15)0.0102 (13)0.0147 (12)0.0037 (11)
O20.0563 (16)0.0561 (16)0.0445 (15)0.0092 (14)0.0247 (13)0.0022 (12)
C10.060 (3)0.063 (3)0.057 (3)0.018 (2)0.006 (2)0.005 (2)
C20.046 (2)0.039 (2)0.053 (2)0.0002 (19)0.017 (2)0.0005 (19)
C30.050 (2)0.056 (3)0.064 (3)0.017 (2)0.026 (2)0.001 (2)
C40.058 (3)0.035 (2)0.062 (3)0.004 (2)0.034 (2)0.0051 (19)
C50.092 (4)0.082 (3)0.072 (3)0.017 (3)0.052 (3)0.007 (3)
C60.053 (2)0.046 (2)0.042 (2)0.004 (2)0.0164 (19)0.0031 (19)
C70.043 (2)0.049 (3)0.051 (2)0.0112 (19)0.0206 (19)0.008 (2)
C80.063 (3)0.051 (3)0.074 (3)0.001 (2)0.025 (2)0.006 (3)
C90.075 (3)0.065 (3)0.057 (3)0.007 (3)0.018 (2)0.015 (2)
C100.057 (3)0.065 (3)0.037 (2)0.006 (2)0.0123 (19)0.001 (2)
C110.063 (3)0.051 (3)0.076 (3)0.013 (2)0.035 (3)0.009 (2)
Geometric parameters (Å, º) top
Ni—O12.009 (2)C2—C31.392 (5)
Ni—O22.016 (2)C3—C41.401 (5)
Ni—N12.116 (3)C4—C51.503 (5)
N1—C61.331 (4)C6—C71.376 (5)
N1—C101.335 (5)C7—C81.379 (5)
N2—C111.135 (5)C7—C111.447 (6)
O1—C21.260 (4)C8—C91.358 (6)
O2—C41.258 (4)C9—C101.371 (6)
C1—C21.513 (5)
O1i—Ni—O2i91.86 (10)C3—C2—C1118.7 (4)
O1—Ni—O2i88.14 (10)C2—C3—C4127.2 (4)
O1—Ni—O291.86 (10)O2—C4—C3125.1 (4)
O1i—Ni—N188.73 (11)O2—C4—C5116.1 (4)
O1—Ni—N191.27 (11)C3—C4—C5118.9 (4)
O2i—Ni—N189.81 (11)N1—C6—C7122.5 (3)
O2—Ni—N190.19 (11)C6—C7—C8119.5 (4)
C6—N1—C10117.0 (3)C6—C7—C11119.9 (4)
C6—N1—Ni120.8 (2)C8—C7—C11120.5 (4)
C10—N1—Ni122.2 (3)C9—C8—C7118.2 (4)
C2—O1—Ni124.3 (2)C8—C9—C10119.1 (4)
C4—O2—Ni124.5 (3)N1—C10—C9123.6 (4)
O1—C2—C3125.6 (4)N2—C11—C7178.5 (5)
O1—C2—C1115.7 (3)
Symmetry code: (i) x+1, y+1, z+1.
(II) top
Crystal data top
[Ni(C5H7O2)2(C6H4N2)2]Z = 1
Mr = 465.14F(000) = 242
Triclinic, P1Dx = 1.379 Mg m3
a = 6.2795 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.912 (1) ÅCell parameters from 25 reflections
c = 10.392 (1) Åθ = 8.2–13.9°
α = 64.96 (1)°µ = 0.90 mm1
β = 86.441 (8)°T = 293 K
γ = 73.333 (9)°Irregular, blue
V = 560.10 (9) Å30.22 × 0.18 × 0.05 mm
Data collection top
Enraf-Nonius CAD4
diffractometer
1605 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.022
Graphite monochromatorθmax = 25.5°
ω/2θ scansh = 77
Absorption correction: ψ-scan
(North et al., 1968)
k = 1110
Tmin = 0.855, Tmax = 0.961l = 120
2180 measured reflections3 standard reflections every 60 min
2059 independent reflections intensity decay: 1.1%
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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.084H-atom parameters constrained
S = 1.06Calculated w = 1/[σ2(Fo2) + (0.029P)2 + 0.1589P]
where P = (Fo2 + 2Fc2)/3
2059 reflections(Δ/σ)max < 0.001
144 parametersΔρmax = 0.28 e Å3
0 restraintsΔρmin = 0.26 e Å3
Crystal data top
[Ni(C5H7O2)2(C6H4N2)2]γ = 73.333 (9)°
Mr = 465.14V = 560.10 (9) Å3
Triclinic, P1Z = 1
a = 6.2795 (6) ÅMo Kα radiation
b = 9.912 (1) ŵ = 0.90 mm1
c = 10.392 (1) ÅT = 293 K
α = 64.96 (1)°0.22 × 0.18 × 0.05 mm
β = 86.441 (8)°
Data collection top
Enraf-Nonius CAD4
diffractometer
1605 reflections with I > 2σ(I)
Absorption correction: ψ-scan
(North et al., 1968)
Rint = 0.022
Tmin = 0.855, Tmax = 0.9613 standard reflections every 60 min
2180 measured reflections intensity decay: 1.1%
2059 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0350 restraints
wR(F2) = 0.084H-atom parameters constrained
S = 1.06Δρmax = 0.28 e Å3
2059 reflectionsΔρmin = 0.26 e Å3
144 parameters
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 on F2 for ALL reflections. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating R-factor-obs 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
Ni0000.03738 (18)
O10.1401 (3)0.1561 (2)0.00617 (18)0.0430 (4)
O20.1764 (3)0.0057 (2)0.16829 (19)0.0459 (5)
N10.2667 (3)0.1908 (2)0.1456 (2)0.0411 (5)
N20.9547 (5)0.6553 (3)0.4737 (4)0.0932 (11)
C10.1161 (4)0.2085 (3)0.0995 (3)0.0441 (7)
C20.2506 (5)0.3191 (4)0.0818 (4)0.0646 (9)
H2A0.40590.26800.08260.097*
H2B0.22710.35010.15870.097*
H2C0.20410.40920.00700.097*
C30.0168 (5)0.1715 (3)0.2133 (3)0.0555 (8)
H30.01460.21500.27670.067*
C40.1543 (5)0.0746 (3)0.2417 (3)0.0463 (7)
C50.2871 (6)0.0467 (4)0.3723 (3)0.0663 (9)
H5A0.43970.06330.34640.099*
H5B0.27930.11730.41150.099*
H5C0.22650.05840.44190.099*
C60.4438 (4)0.1654 (3)0.1852 (3)0.0465 (7)
H60.44890.06330.15110.056*
C70.6197 (4)0.2818 (3)0.2739 (3)0.0494 (7)
H70.73860.25840.30020.059*
C80.6158 (5)0.4325 (3)0.3224 (3)0.0474 (7)
C90.4319 (5)0.4613 (3)0.2838 (3)0.0626 (9)
H90.42290.56240.31640.075*
C100.2639 (5)0.3380 (3)0.1966 (3)0.0563 (8)
H100.14070.35820.17160.068*
C110.8035 (6)0.5584 (4)0.4092 (3)0.0601 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni0.0367 (3)0.0398 (3)0.0407 (3)0.0128 (2)0.0009 (2)0.0201 (2)
O10.0433 (10)0.0460 (11)0.0477 (11)0.0173 (8)0.0002 (8)0.0242 (9)
O20.0457 (11)0.0507 (11)0.0476 (11)0.0169 (9)0.0045 (9)0.0250 (9)
N10.0386 (12)0.0421 (13)0.0433 (13)0.0117 (10)0.0031 (10)0.0178 (11)
N20.097 (2)0.0628 (19)0.106 (3)0.0196 (18)0.052 (2)0.0420 (19)
C10.0419 (15)0.0352 (14)0.0539 (17)0.0043 (12)0.0161 (13)0.0195 (13)
C20.064 (2)0.061 (2)0.085 (2)0.0227 (16)0.0069 (17)0.0404 (18)
C30.0666 (19)0.0584 (18)0.0560 (18)0.0187 (15)0.0026 (16)0.0369 (16)
C40.0469 (16)0.0430 (15)0.0427 (15)0.0020 (13)0.0038 (13)0.0183 (13)
C50.077 (2)0.066 (2)0.0536 (19)0.0144 (17)0.0125 (16)0.0291 (17)
C60.0415 (15)0.0413 (15)0.0539 (17)0.0140 (12)0.0044 (13)0.0152 (13)
C70.0403 (15)0.0492 (17)0.0573 (18)0.0135 (13)0.0067 (13)0.0194 (14)
C80.0487 (16)0.0454 (16)0.0455 (16)0.0062 (13)0.0084 (13)0.0201 (14)
C90.072 (2)0.0394 (16)0.072 (2)0.0161 (15)0.0243 (17)0.0160 (15)
C100.0543 (18)0.0466 (17)0.066 (2)0.0170 (14)0.0183 (15)0.0175 (15)
C110.069 (2)0.0484 (18)0.062 (2)0.0048 (16)0.0188 (17)0.0271 (16)
Geometric parameters (Å, º) top
Ni—O12.0110 (16)C1—C21.512 (4)
Ni—O22.0238 (18)C3—C41.400 (4)
Ni—N12.179 (2)C4—C51.513 (4)
O1—C11.264 (3)C6—C71.377 (4)
O2—C41.255 (3)C7—C81.367 (4)
N1—C101.330 (3)C8—C91.386 (4)
N1—C61.332 (3)C8—C111.447 (4)
N2—C111.133 (4)C9—C101.367 (4)
C1—C31.384 (4)
O1—Ni—O2i89.81 (7)C3—C1—C2119.4 (3)
O1—Ni—O290.19 (7)C1—C3—C4126.0 (3)
O1—Ni—N1i89.21 (7)O2—C4—C3125.5 (3)
O2—Ni—N1i90.35 (8)O2—C4—C5116.0 (3)
O1—Ni—N190.79 (7)C3—C4—C5118.5 (3)
O2—Ni—N189.65 (8)N1—C6—C7123.7 (3)
C1—O1—Ni126.17 (18)C8—C7—C6118.6 (3)
C4—O2—Ni125.94 (18)C7—C8—C9118.6 (3)
C10—N1—C6116.7 (2)C7—C8—C11120.1 (3)
C10—N1—Ni121.98 (17)C9—C8—C11121.3 (3)
C6—N1—Ni121.26 (18)C10—C9—C8118.7 (3)
O1—C1—C3125.7 (2)N1—C10—C9123.7 (3)
O1—C1—C2114.9 (3)N2—C11—C8177.7 (4)
Symmetry code: (i) x, y, z.

Experimental details

(I)(II)
Crystal data
Chemical formula[Ni(C5H7O2)2(C6H4N2)2][Ni(C5H7O2)2(C6H4N2)2]
Mr465.14465.14
Crystal system, space groupMonoclinic, P21/aTriclinic, P1
Temperature (K)293293
a, b, c (Å)7.8295 (6), 19.3334 (18), 8.1244 (10)6.2795 (6), 9.912 (1), 10.392 (1)
α, β, γ (°)90, 116.019 (8), 9064.96 (1), 86.441 (8), 73.333 (9)
V3)1105.16 (19)560.10 (9)
Z21
Radiation typeMo KαMo Kα
µ (mm1)0.910.90
Crystal size (mm)0.20 × 0.18 × 0.050.22 × 0.18 × 0.05
Data collection
DiffractometerEnraf-Nonius CAD4
diffractometer
Enraf-Nonius CAD4
diffractometer
Absorption correctionψ-scan
(North et al., 1968)
ψ-scan
(North et al., 1968)
Tmin, Tmax0.839, 0.9560.855, 0.961
No. of measured, independent and
observed reflections
2737, 2529, 1131 (F2 > 2σF2)2180, 2059, 1605 [I > 2σ(I)]
Rint0.0220.022
(sin θ/λ)max1)0.6490.605
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.045, 0.115, 0.95 0.035, 0.084, 1.06
No. of reflections25292059
No. of parameters144144
H-atom treatmentH-atom parameters constrainedH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.27, 0.590.28, 0.26

Computer programs: CAD-4 Software (Enraf-Nonius,1989), CAD-4 Software, MolEN (Fair, 1990), SHELXS86 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), ZORTEP (Zsolnai, 1995), SHELXL97.

Selected geometric parameters (Å, º) for (I) top
Ni—O12.009 (2)N2—C111.135 (5)
Ni—O22.016 (2)O1—C21.260 (4)
Ni—N12.116 (3)O2—C41.258 (4)
O1—Ni—O291.86 (10)O1—C2—C3125.6 (4)
O1—Ni—N191.27 (11)O1—C2—C1115.7 (3)
O2—Ni—N190.19 (11)O2—C4—C3125.1 (4)
C2—O1—Ni124.3 (2)O2—C4—C5116.1 (4)
C4—O2—Ni124.5 (3)N2—C11—C7178.5 (5)
Selected geometric parameters (Å, º) for (II) top
Ni—O12.0110 (16)O1—C11.264 (3)
Ni—O22.0238 (18)O2—C41.255 (3)
Ni—N12.179 (2)
O1—Ni—O290.19 (7)C4—O2—Ni125.94 (18)
O1—Ni—N190.79 (7)C10—N1—Ni121.98 (17)
O2—Ni—N189.65 (8)C6—N1—Ni121.26 (18)
C1—O1—Ni126.17 (18)N2—C11—C8177.7 (4)
 

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