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The title compound, [CuI(C17H21N5)]·CH2Cl2, contains a tetracoordinate CuI centre with an unusual distorted tetrahedral stereochemistry, which has also been observed in other CuI complexes containing this tridentate ligand. This distortion is probably a result of intermolecular steric contacts between the I- ligand and a neighbouring CH2Cl2 mol­ecule.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102010053/bm1500sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102010053/bm1500Isup2.hkl
Contains datablock I

CCDC reference: 165784

Comment top

Perhaps more than for any other type of metalloprotein, synthetic model chemistry has led to great advances in the understanding of the small-molecule chemistry that occurs at the active sites of type 2 and type 3 Cu/O proteins. Much of this synthetic chemistry has been carried out using facially or meridionally coordinating tridentate ligands, such as 1,4,7-triazacyclononane (Tolman, 1997) and N-alkyl-bis[2-(2-pyridyl)ethyl]amine (Blain et al., 2001) derivatives, to mimic the tris-histidine ligation to Cu in these proteins. We have been studying the stereochemistry of Cu complexes of meridional tris-imine ligands, in order to define more rigorously the solution structures of complexes of this type (Foster et al., 2002; Solanki et al., 2002), and have prepared the title compound, (I), in the course of our studies. \sch

The crystal of (I) contains one molecule of the complex and one of the CH2Cl2 solvent per asymmetric unit, each lying on a general position. The four-coordinate CuI ion has the expected N3I donor set, with all four Cu-ligand bond lengths lying within the usual ranges (Orpen et al., 1989). The disposition of ligand donor atoms about Cu1 reflects a rather distorted tetrahedral stereochemistry. Unusually, this geometry is not well described as a planar twisted tetrahedron This is not very clear - can it be improved?, which is a common structural type for CuI complexes of chelating imine ligands (Halcrow et al., 1997, and references therein). Rather, the I- ligand is displaced out of its `ideal' position, towards the N10? donor atom. This is evidenced by the N18—Cu1—I24 angle being larger than N10—Cu1—I24 (Table 2). Concomitantly, the Cu1—N18 bond is shorter than Cu1—N10 (Table 2), possibly as a result of steric interactions between atoms N10? and I24.

In common with many known complexes of 2,6-bis(pyrazol-1-ylmethyl)pyridine derivatives (Watson et al., 1987; Mahapatra et al., 1993; Manikandan et al., 1996, 1998, 2000a,b; Lal et al., 1999; Foster et al., 2002), the Cu—Npyridine bond Cu1—N2 is substantially longer than the two Cu1—Npyrazole bonds, by an average of 0.112 (5) Å. This is inconsistent with the greater basicity of a pyridine compared with a pyrazole N-donor, and presumably originates from conformational strain within the ligand chelate backbone. The two six-membered chelate rings in the complex both have a chair-like conformation.

An identical pattern of distortion away from an ideal tetrahedral geometry is exhibited by three of the four other known CuI complexes of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine, hereinafter L, in the crystal (Table 2), namely [CuL(NCMe)]BF4, (II) (Foster et al., 2002), [CuL(PPh3)]ClO4, (III) (Manikandan et al., 1996) and [(CuL)2(µ-Ph2PC2H4PPh2)](ClO4)2, (IV) (Manikandan et al., 1998). In contrast, [CuL(OClO3)], (V) (Manikandan et al., 1996) shows a more regular tetrahedral stereochemistry (Table 2). The pattern of distortion away from an idealized tetrahedron is the same in (I)-(IV). However, the magnitude of the displacement of the monodentate ligand towards one pyrazole ring and the degree of lengthening of the corresponding Cu—N bond vary markedly between these four structures (Table 2). There is no apparent correlation of the degree of distortion with the identity of the exogenous ligand X24 in Table 2, or with any of the bond lengths to Cu1. In particular, the Cu1—N2 distance shows some variation between these compounds, from being the same magnitude as the Cu—Npyrazole bonds in (III) to being substantially longer in (I). However, this variation does not correlate with the degree of distortion (Table 2). The apparent lack of a systematic trend makes it unlikely that the structural distortions in (I)-(IV) are caused by the electronic structure at Cu.

Space-filling models of (I) show that there are no intramolecular steric contacts to atom I24 that could account for its displacement towards atom N10?. However, there are several close intermolecular interatomic contacts to this atom, namely I24···Cl26 [3.842 (5) Å], I24···H25Ai (3.05 Å), I24···H16Aii (3.04 Å), I24···H8Biii (3.12 Å) and I24···H15Aiii (3.20 Å) [symmetry codes: (i) 1 - x, 1 - y, 1 - z; (ii) x + 1, y, z; (iii) x, 1/2 - y, z + 1/2]. The first two of these are to atoms from the CH2Cl2 molecule. For comparison, the sum of the van der Waals radii of Cl and I is 3.95 Å, and of H and I is 3.35 Å (Pauling, 1960). Interestingly, atom H25Ai is positioned close to the putative `ideal' coordination site for atom I24, which would be equidistant from atoms N10 and N18. This is apparent from the similar distances from H25Ai to these two N atoms, which are N10···H25Ai 6.53 Å and N18···H25Ai 6.31 Å.

Hence, it is possible that the distorted coordination geometry in (I) is a result of intermolecular steric repulsion between atom I24 and the solvent molecule at (1 - x, 1 - y, 1 - z), which would prevent I24 from occupying its idealized position in the coordination sphere. In (II), the structural distortions are also probably caused by an intermolecular steric repulsion, between the MeCN ligand methyl group and a neighbouring BF4- anion (Foster et al., 2002). Hence, while no analysis of intermolecular interactions was carried out for (III)-(V), it seems likely that the unusual coordination geometries adopted by (I)-(IV) in the crystal are a consequence of intermolecular packing interactions, rather than any intrinsic intramolecular electronic factors.

Experimental top

A mixture of 2,6-bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine (0.25 g, 8.4 mmol; Mahapatra et al., 1991) and CuI (0.16 g, 8.4 mmol) in CH2Cl2 (25 ml) was stirred under N2 for 20 min. The resultant yellow solution was filtered, concentrated in vacuo to ca 5 ml and stored at 253 K overnight. The yellow polycrystalline precipitate was filtered, washed with pentane and dried in vacuo (yield 0.36 g, 88%). Slow diffusion of pentane into a solution of the (sparingly soluble) complex in CH2Cl2 yielded yellow blocks of (I). Analysis found: C 38.1, H 4.0, N 12.5%; calculated for C17H21CuIN5·CH2Cl2: C 37.9, H 4.1, N 12.3%.

Refinement top

All H atoms were placed in calculated positions and refined using a riding model. The constraints employed for the final refinement were C—H 0.95 Å and Uiso(H) = 1.2Ueq(C) for all sp2 H atoms, C—H 0.99 Å and Uiso(H) = 1.3Ueq(C) for the methylene and solvent CH2 groups, and C—H 0.98 Å and Uiso(H) = 1.5Ueq(C) for the methyl H atoms. The highest residual Fourier peak of 1.06 e Å-3 lies 0.93 Å from the solvent atom C25. Attempts to incorporate this peak into a disorder model for the solvent molecule were unsuccessful.

Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEX (McArdle, 1995); software used to prepare material for publication: local program.

Figures top
[Figure 1] Fig. 1. The molecular structure of (I) with 50% probability displacement ellipsoids, showing the atom-numbering scheme employed. For clarity, the solvent molecule and all H atoms have been omitted.
[2,6-Bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate top
Crystal data top
[Cu(C17H21N5)I]·CH2Cl2F(000) = 1128
Mr = 570.75Dx = 1.721 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 8.4293 (2) ÅCell parameters from 25307 reflections
b = 18.8330 (3) Åθ = 1.8–27.5°
c = 13.9401 (3) ŵ = 2.65 mm1
β = 95.4144 (9)°T = 150 K
V = 2203.10 (8) Å3Block, yellow
Z = 40.17 × 0.11 × 0.11 mm
Data collection top
Nonius KappaCCD area-detector
diffractometer
5028 independent reflections
Radiation source: fine-focus sealed tube4154 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.054
Detector resolution: 9.091 pixels mm-1θmax = 27.5°, θmin = 1.8°
Missing scansh = 1010
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 2224
Tmin = 0.662, Tmax = 0.759l = 1818
25307 measured reflections
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)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.088H-atom parameters constrained
S = 1.02 w = [σ2(Fo2) + (0.038P)2 + 2.411P]
where P = (Fo2 + 2Fc2)/3
5027 reflections(Δ/σ)max = 0.001
249 parametersΔρmax = 1.06 e Å3
0 restraintsΔρmin = 0.78 e Å3
Crystal data top
[Cu(C17H21N5)I]·CH2Cl2V = 2203.10 (8) Å3
Mr = 570.75Z = 4
Monoclinic, P21/cMo Kα radiation
a = 8.4293 (2) ŵ = 2.65 mm1
b = 18.8330 (3) ÅT = 150 K
c = 13.9401 (3) Å0.17 × 0.11 × 0.11 mm
β = 95.4144 (9)°
Data collection top
Nonius KappaCCD area-detector
diffractometer
5028 independent reflections
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
4154 reflections with I > 2σ(I)
Tmin = 0.662, Tmax = 0.759Rint = 0.054
25307 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0340 restraints
wR(F2) = 0.088H-atom parameters constrained
S = 1.02Δρmax = 1.06 e Å3
5027 reflectionsΔρmin = 0.78 e Å3
249 parameters
Special details top

Experimental. Detector set at 30 mm from sample with different 2theta offsets 1 degree phi exposures for chi=degree settings 1 degree omega exposures for chi= 90 degree settings

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.

Structure solution was achieved by a Patterson synthesis using SHELXS97 (Sheldrick, 1997a), while least squares refinement used SHELXL97 (Sheldrick, 1997b). No disorder was detected during refinement. All non-H atoms were refined anisotropically, while all H atoms were placed in calculated positions and refined using a riding model.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.51095 (5)0.18862 (2)0.46630 (3)0.03151 (11)
N20.3355 (3)0.19711 (13)0.56793 (19)0.0293 (6)
C30.3750 (4)0.17141 (17)0.6562 (2)0.0320 (7)
C40.2618 (5)0.14691 (17)0.7153 (2)0.0381 (8)
H40.29280.13030.77870.046*
C50.1039 (5)0.14746 (19)0.6791 (3)0.0410 (8)
H50.02460.12940.71670.049*
C60.0608 (4)0.17437 (19)0.5877 (3)0.0371 (8)
H60.04760.17520.56200.045*
C70.1797 (4)0.19988 (16)0.5350 (2)0.0311 (7)
C80.5518 (4)0.16925 (17)0.6869 (2)0.0337 (7)
H8A0.60180.21410.66810.040*
H8B0.56930.16470.75780.040*
N90.6260 (3)0.10925 (13)0.64148 (19)0.0304 (6)
N100.6274 (3)0.10799 (14)0.54295 (19)0.0320 (6)
C110.6951 (4)0.04590 (17)0.5239 (2)0.0352 (7)
C120.7370 (4)0.00841 (17)0.6097 (3)0.0379 (8)
H120.78840.03650.61590.045*
C130.6890 (4)0.04951 (17)0.6823 (2)0.0345 (7)
C140.7207 (5)0.0253 (2)0.4233 (3)0.0467 (9)
H14A0.62920.00240.39540.070*
H14B0.81770.00350.42370.070*
H14C0.73220.06810.38460.070*
C150.6991 (5)0.03729 (19)0.7887 (3)0.0450 (9)
H15A0.76120.07550.82190.067*
H15B0.75130.00840.80400.067*
H15C0.59160.03670.80990.067*
C160.1436 (4)0.23617 (18)0.4385 (2)0.0327 (7)
H16A0.02750.24510.42810.039*
H16B0.19810.28280.44060.039*
N170.1925 (3)0.19558 (14)0.35672 (19)0.0296 (6)
N180.3515 (3)0.18284 (14)0.34892 (19)0.0294 (6)
C190.3597 (4)0.15873 (16)0.2598 (2)0.0297 (7)
C200.2077 (4)0.15690 (17)0.2097 (2)0.0319 (7)
H200.18150.14170.14510.038*
C210.1040 (4)0.18142 (17)0.2725 (2)0.0319 (7)
C220.5156 (4)0.13862 (19)0.2251 (2)0.0376 (8)
H22A0.60240.16020.26690.056*
H22B0.51970.15560.15890.056*
H22C0.52700.08680.22670.056*
C230.0727 (4)0.1919 (2)0.2592 (3)0.0415 (8)
H23A0.12390.16020.30270.062*
H23B0.11200.18120.19240.062*
H23C0.09800.24130.27390.062*
I240.70038 (3)0.298734 (11)0.468411 (15)0.03209 (8)
C250.2328 (6)0.5044 (3)0.4579 (3)0.0653 (13)
H25A0.30200.54690.46460.078*
H25B0.16160.50580.51040.078*
Cl260.35156 (13)0.42967 (5)0.47268 (7)0.0539 (3)
Cl270.11705 (18)0.50934 (7)0.34865 (10)0.0807 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0307 (2)0.0356 (2)0.0275 (2)0.00043 (16)0.00129 (16)0.00046 (16)
N20.0340 (15)0.0283 (14)0.0254 (13)0.0024 (11)0.0006 (11)0.0005 (10)
C30.041 (2)0.0256 (15)0.0288 (16)0.0039 (13)0.0006 (14)0.0037 (13)
C40.053 (2)0.0318 (17)0.0302 (17)0.0091 (15)0.0075 (16)0.0039 (14)
C50.044 (2)0.0411 (19)0.0401 (19)0.0014 (16)0.0156 (16)0.0042 (16)
C60.035 (2)0.0375 (18)0.0400 (19)0.0030 (14)0.0078 (15)0.0004 (15)
C70.0356 (18)0.0305 (16)0.0274 (16)0.0007 (13)0.0041 (14)0.0032 (12)
C80.043 (2)0.0290 (16)0.0273 (16)0.0049 (14)0.0047 (14)0.0034 (13)
N90.0346 (15)0.0276 (13)0.0276 (13)0.0030 (11)0.0044 (11)0.0013 (11)
N100.0346 (15)0.0306 (14)0.0299 (14)0.0007 (11)0.0010 (11)0.0016 (11)
C110.0376 (19)0.0300 (16)0.0374 (19)0.0001 (14)0.0012 (15)0.0013 (14)
C120.043 (2)0.0263 (16)0.044 (2)0.0019 (14)0.0006 (16)0.0015 (14)
C130.0363 (19)0.0273 (16)0.0384 (18)0.0000 (13)0.0037 (14)0.0018 (13)
C140.056 (2)0.042 (2)0.043 (2)0.0095 (17)0.0096 (18)0.0034 (17)
C150.061 (3)0.0367 (19)0.0354 (19)0.0074 (17)0.0022 (17)0.0060 (15)
C160.0318 (18)0.0369 (17)0.0293 (17)0.0029 (14)0.0014 (14)0.0003 (14)
N170.0280 (14)0.0356 (15)0.0246 (13)0.0001 (11)0.0000 (11)0.0004 (10)
N180.0266 (14)0.0339 (14)0.0277 (14)0.0001 (11)0.0022 (11)0.0001 (11)
C190.0340 (17)0.0285 (15)0.0266 (15)0.0023 (13)0.0025 (13)0.0013 (12)
C200.0360 (18)0.0327 (16)0.0263 (16)0.0035 (14)0.0004 (13)0.0025 (13)
C210.0303 (17)0.0336 (16)0.0307 (17)0.0019 (13)0.0034 (13)0.0036 (13)
C220.0327 (19)0.046 (2)0.0346 (18)0.0010 (15)0.0044 (14)0.0034 (15)
C230.0303 (19)0.058 (2)0.0351 (19)0.0000 (16)0.0024 (15)0.0021 (16)
I240.03550 (14)0.03025 (13)0.03025 (13)0.00117 (8)0.00163 (9)0.00020 (8)
C250.052 (3)0.084 (4)0.058 (3)0.005 (2)0.006 (2)0.016 (2)
Cl260.0678 (7)0.0451 (5)0.0468 (5)0.0007 (5)0.0042 (5)0.0025 (4)
Cl270.0855 (9)0.0654 (7)0.0838 (9)0.0204 (7)0.0312 (7)0.0147 (7)
Geometric parameters (Å, º) top
Cu1—N22.148 (3)C14—H14B0.9800
Cu1—N102.052 (3)C14—H14C0.9800
Cu1—N182.020 (3)C15—H15A0.9800
Cu1—I242.6157 (5)C15—H15B0.9800
N2—C31.335 (4)C15—H15C0.9800
N2—C71.350 (4)C16—N171.464 (4)
C3—C41.397 (5)C16—H16A0.9900
C3—C81.512 (5)C16—H16B0.9900
C4—C51.379 (5)N17—C211.356 (4)
C4—H40.9500N17—N181.376 (4)
C5—C61.388 (5)N18—C191.330 (4)
C5—H50.9500C19—C201.400 (5)
C6—C71.384 (5)C19—C221.491 (5)
C6—H60.9500C20—C211.374 (5)
C7—C161.513 (4)C20—H200.9500
C8—N91.464 (4)C21—C231.497 (5)
C8—H8A0.9900C22—H22A0.9800
C8—H8B0.9900C22—H22B0.9800
N9—C131.347 (4)C22—H22C0.9800
N9—N101.375 (4)C23—H23A0.9800
N10—C111.339 (4)C23—H23B0.9800
C11—C121.404 (5)C23—H23C0.9800
C11—C141.491 (5)C25—Cl261.728 (5)
C12—C131.366 (5)C25—Cl271.731 (4)
C12—H120.9500C25—H25A0.9900
C13—C151.495 (5)C25—H25B0.9900
C14—H14A0.9800
N18—Cu1—N10129.10 (11)C11—C14—H14C109.5
N18—Cu1—N295.23 (11)H14A—C14—H14C109.5
N10—Cu1—N292.11 (10)H14B—C14—H14C109.5
N18—Cu1—I24114.25 (8)C13—C15—H15A109.5
N10—Cu1—I24108.62 (8)C13—C15—H15B109.5
N2—Cu1—I24113.02 (7)H15A—C15—H15B109.5
C3—N2—C7118.6 (3)C13—C15—H15C109.5
C3—N2—Cu1116.9 (2)H15A—C15—H15C109.5
C7—N2—Cu1119.1 (2)H15B—C15—H15C109.5
N2—C3—C4122.6 (3)N17—C16—C7114.1 (3)
N2—C3—C8115.1 (3)N17—C16—H16A108.7
C4—C3—C8122.3 (3)C7—C16—H16A108.7
C5—C4—C3118.2 (3)N17—C16—H16B108.7
C5—C4—H4120.9C7—C16—H16B108.7
C3—C4—H4120.9H16A—C16—H16B107.6
C4—C5—C6119.9 (3)C21—N17—N18110.9 (3)
C4—C5—H5120.0C21—N17—C16127.2 (3)
C6—C5—H5120.0N18—N17—C16120.0 (3)
C7—C6—C5118.4 (3)C19—N18—N17105.7 (3)
C7—C6—H6120.8C19—N18—Cu1133.3 (2)
C5—C6—H6120.8N17—N18—Cu1120.4 (2)
N2—C7—C6122.4 (3)N18—C19—C20110.4 (3)
N2—C7—C16115.3 (3)N18—C19—C22121.0 (3)
C6—C7—C16122.2 (3)C20—C19—C22128.6 (3)
N9—C8—C3110.4 (3)C21—C20—C19106.3 (3)
N9—C8—H8A109.6C21—C20—H20126.9
C3—C8—H8A109.6C19—C20—H20126.9
N9—C8—H8B109.6N17—C21—C20106.7 (3)
C3—C8—H8B109.6N17—C21—C23122.7 (3)
H8A—C8—H8B108.1C20—C21—C23130.6 (3)
C13—N9—N10111.6 (3)C19—C22—H22A109.5
C13—N9—C8129.0 (3)C19—C22—H22B109.5
N10—N9—C8119.3 (2)H22A—C22—H22B109.5
C11—N10—N9104.9 (3)C19—C22—H22C109.5
C11—N10—Cu1137.3 (2)H22A—C22—H22C109.5
N9—N10—Cu1117.31 (19)H22B—C22—H22C109.5
N10—C11—C12110.4 (3)C21—C23—H23A109.5
N10—C11—C14121.1 (3)C21—C23—H23B109.5
C12—C11—C14128.5 (3)H23A—C23—H23B109.5
C13—C12—C11106.1 (3)C21—C23—H23C109.5
C13—C12—H12126.9H23A—C23—H23C109.5
C11—C12—H12126.9H23B—C23—H23C109.5
N9—C13—C12107.0 (3)Cl26—C25—Cl27114.9 (3)
N9—C13—C15122.1 (3)Cl26—C25—H25A108.5
C12—C13—C15130.9 (3)Cl27—C25—H25A108.5
C11—C14—H14A109.5Cl26—C25—H25B108.5
C11—C14—H14B109.5Cl27—C25—H25B108.5
H14A—C14—H14B109.5H25A—C25—H25B107.5

Experimental details

Crystal data
Chemical formula[Cu(C17H21N5)I]·CH2Cl2
Mr570.75
Crystal system, space groupMonoclinic, P21/c
Temperature (K)150
a, b, c (Å)8.4293 (2), 18.8330 (3), 13.9401 (3)
β (°) 95.4144 (9)
V3)2203.10 (8)
Z4
Radiation typeMo Kα
µ (mm1)2.65
Crystal size (mm)0.17 × 0.11 × 0.11
Data collection
DiffractometerNonius KappaCCD area-detector
diffractometer
Absorption correctionMulti-scan
(SORTAV; Blessing, 1995)
Tmin, Tmax0.662, 0.759
No. of measured, independent and
observed [I > 2σ(I)] reflections
25307, 5028, 4154
Rint0.054
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.034, 0.088, 1.02
No. of reflections5027
No. of parameters249
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.06, 0.78

Computer programs: COLLECT (Nonius, 1999), DENZO-SMN (Otwinowski & Minor, 1997), DENZO-SMN, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEX (McArdle, 1995), local program.

Selected geometric parameters (Å, º) top
Cu1—N22.148 (3)Cu1—N182.020 (3)
Cu1—N102.052 (3)Cu1—I242.6157 (5)
N18—Cu1—N10129.10 (11)N18—Cu1—I24114.25 (8)
N18—Cu1—N295.23 (11)N10—Cu1—I24108.62 (8)
N10—Cu1—N292.11 (10)N2—Cu1—I24113.02 (7)
Table 2. Structural distortions in CuI complexes of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine (Å, °). The compound numbers, and the references describing them, are defined in the text. The atom numbers used to define the parameters listed are based on those in Fig. 1. top
II2.148 (3)0.032 (4)5.63 (11)
IIN2.1198 (12)0.1122 (18)17.77 (8)
IIIP2.097 (4)0.068 (6)11.5 (2)
IVP2.111 (4)0.039 (6)6.19 (17)
VO2.131 (2)0.000 (3)0.40 (13)
 

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