Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100000639/qa0208sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100000639/qa0208Isup2.hkl |
CCDC reference: 142930
The compound [Pd2(dppe)2Cl2)]2(BF4)·2CDCl3 was isolated by slow evaporation of a solution of bis(acetonitrile)bis[1,2-bis(diphenylphosphino)ethane]palladium(II) bis(tetrafluoroborate) in CDCl3. Yellow crystals suitable for X-ray analysis were formed.
The structure was solved by direct methods using XMY (Debaerdemaeker, 1993). The positions of the H atoms were calculated geometrically and their displacement factors (Uiso) were set to 1.2Ueq of the parent atom. The CDCl3 molecule contains deuterium which was refined as hydrogen but the formula weight is calculated using the molar mass of deuterium. In the final refinement, the atoms of the anion and the solvent molecule were fixed with DFIX and ISOR parameters.
Data collection: IPDS (Stoe & Cie, 1997); cell refinement: IPDS (Stoe & Cie, 1997); data reduction: IPDS (Stoe & Cie, 1997); program(s) used to solve structure: XMY93 (Debaerdemaeker, 1993); program(s) used to refine structure: SHELX97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick,1990); software used to prepare material for publication: SHELX97 (Sheldrick, 1997).
[Pd2Cl2(C26H24P2)2](BF4)2·2CDCl3 | Z = 1 |
Mr = 1494.85 | F(000) = 744 |
Triclinic, P1 | Dx = 1.597 Mg m−3 |
a = 10.8680 (14) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.5889 (16) Å | Cell parameters from all reflections |
c = 13.835 (2) Å | θ = 1.9–26.0° |
α = 114.432 (13)° | µ = 1.09 mm−1 |
β = 109.881 (13)° | T = 293 K |
γ = 95.870 (14)° | Prism, light yellow |
V = 1554.0 (4) Å3 | 0.18 × 0.16 × 0.12 mm |
Stoe-IPDS image-plate diffractometer | 4418 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.039 |
Graphite monochromator | θmax = 26.0°, θmin = 1.9° |
Detector resolution: 0.15 pixels mm-1 | h = −13→13 |
oscillation scans | k = −15→15 |
18439 measured reflections | l = −16→17 |
5632 independent reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.042 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.114 | H-atom parameters constrained |
S = 1.00 | Calculated w = 1/[σ2(Fo2) + (0.075P)2] where P = (Fo2 + 2Fc2)/3 |
5632 reflections | (Δ/σ)max = 0.002 |
352 parameters | Δρmax = 0.93 e Å−3 |
91 restraints | Δρmin = −0.65 e Å−3 |
[Pd2Cl2(C26H24P2)2](BF4)2·2CDCl3 | γ = 95.870 (14)° |
Mr = 1494.85 | V = 1554.0 (4) Å3 |
Triclinic, P1 | Z = 1 |
a = 10.8680 (14) Å | Mo Kα radiation |
b = 12.5889 (16) Å | µ = 1.09 mm−1 |
c = 13.835 (2) Å | T = 293 K |
α = 114.432 (13)° | 0.18 × 0.16 × 0.12 mm |
β = 109.881 (13)° |
Stoe-IPDS image-plate diffractometer | 4418 reflections with I > 2σ(I) |
18439 measured reflections | Rint = 0.039 |
5632 independent reflections |
R[F2 > 2σ(F2)] = 0.042 | 91 restraints |
wR(F2) = 0.114 | H-atom parameters constrained |
S = 1.00 | Δρmax = 0.93 e Å−3 |
5632 reflections | Δρmin = −0.65 e Å−3 |
352 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
Pd1 | −0.00135 (3) | −0.04371 (3) | 0.10430 (3) | 0.03194 (12) | |
Cl1 | −0.15194 (12) | 0.02277 (11) | −0.01795 (11) | 0.0487 (3) | |
Cl2 | 0.3921 (4) | 0.5056 (3) | 0.3752 (3) | 0.1719 (14) | |
Cl3 | 0.1256 (5) | 0.4964 (4) | 0.3536 (3) | 0.1820 (14) | |
Cl4 | 0.1881 (5) | 0.2733 (3) | 0.2572 (3) | 0.2007 (18) | |
P1 | 0.12463 (12) | −0.11942 (10) | 0.21108 (9) | 0.0344 (2) | |
P2 | −0.13868 (12) | −0.05189 (10) | 0.19148 (10) | 0.0355 (3) | |
F1 | 0.8205 (7) | 0.6189 (5) | 0.2772 (5) | 0.144 (2) | |
F2 | 0.6510 (7) | 0.6248 (7) | 0.3209 (6) | 0.181 (3) | |
F3 | 0.8264 (9) | 0.6141 (6) | 0.4394 (6) | 0.182 (3) | |
F4 | 0.8378 (6) | 0.7847 (3) | 0.4287 (4) | 0.1123 (16) | |
C1 | 0.0431 (5) | −0.1442 (4) | 0.2999 (4) | 0.0441 (11) | |
H1A | −0.0152 | −0.2282 | 0.2575 | 0.053* | |
H1B | 0.1134 | −0.1317 | 0.3736 | 0.053* | |
C2 | −0.0428 (5) | −0.0559 (4) | 0.3260 (4) | 0.0435 (11) | |
H2A | 0.0165 | 0.0256 | 0.3873 | 0.052* | |
H2B | −0.1056 | −0.0833 | 0.3532 | 0.052* | |
C3 | −0.2823 (5) | −0.1851 (4) | 0.1017 (4) | 0.0388 (10) | |
C4 | −0.3162 (5) | −0.2565 (4) | −0.0169 (4) | 0.0435 (11) | |
H4 | −0.2593 | −0.2374 | −0.0508 | 0.052* | |
C5 | −0.4321 (6) | −0.3552 (4) | −0.0860 (5) | 0.0552 (13) | |
H5 | −0.4556 | −0.4039 | −0.1679 | 0.066* | |
C6 | −0.5123 (6) | −0.3834 (5) | −0.0387 (6) | 0.0719 (17) | |
H6 | −0.5934 | −0.4509 | −0.0873 | 0.086* | |
C7 | −0.4777 (7) | −0.3150 (7) | 0.0794 (7) | 0.085 (2) | |
H7 | −0.5334 | −0.3368 | 0.1131 | 0.102* | |
C8 | −0.3657 (6) | −0.2173 (6) | 0.1482 (6) | 0.0686 (16) | |
H8 | −0.3436 | −0.1697 | 0.2300 | 0.082* | |
C9 | −0.2054 (5) | 0.0779 (4) | 0.2269 (4) | 0.0466 (11) | |
C10 | −0.3335 (7) | 0.0703 (6) | 0.1565 (6) | 0.082 (2) | |
H10 | −0.3923 | −0.0065 | 0.0907 | 0.098* | |
C11 | −0.3787 (9) | 0.1733 (7) | 0.1800 (7) | 0.111 (3) | |
H11 | −0.4677 | 0.1680 | 0.1290 | 0.133* | |
C12 | −0.2984 (10) | 0.2812 (7) | 0.2743 (7) | 0.105 (3) | |
H12 | −0.3322 | 0.3513 | 0.2913 | 0.126* | |
C13 | −0.1710 (9) | 0.2914 (6) | 0.3447 (7) | 0.094 (2) | |
H13 | −0.1136 | 0.3688 | 0.4103 | 0.113* | |
C14 | −0.1236 (7) | 0.1889 (5) | 0.3215 (6) | 0.0716 (17) | |
H14 | −0.0334 | 0.1957 | 0.3717 | 0.086* | |
C15 | 0.2942 (5) | −0.0172 (4) | 0.3094 (4) | 0.0406 (10) | |
C16 | 0.3188 (7) | 0.0785 (6) | 0.4172 (6) | 0.083 (2) | |
H16 | 0.2453 | 0.0901 | 0.4404 | 0.100* | |
C17 | 0.4479 (8) | 0.1571 (7) | 0.4913 (6) | 0.092 (2) | |
H17 | 0.4641 | 0.2216 | 0.5666 | 0.110* | |
C18 | 0.5532 (7) | 0.1440 (6) | 0.4587 (6) | 0.0776 (18) | |
H18 | 0.6426 | 0.2003 | 0.5096 | 0.093* | |
C19 | 0.5301 (8) | 0.0518 (8) | 0.3548 (7) | 0.103 (3) | |
H19 | 0.6038 | 0.0421 | 0.3316 | 0.124* | |
C20 | 0.4021 (7) | −0.0295 (6) | 0.2804 (6) | 0.085 (2) | |
H20 | 0.3887 | −0.0957 | 0.2070 | 0.102* | |
C21 | 0.1448 (4) | −0.2647 (4) | 0.1247 (4) | 0.0366 (9) | |
C22 | 0.1922 (6) | −0.3337 (5) | 0.1783 (5) | 0.0586 (14) | |
H22 | 0.2131 | −0.3050 | 0.2597 | 0.070* | |
C23 | 0.2088 (7) | −0.4453 (5) | 0.1120 (6) | 0.0675 (16) | |
H23 | 0.2407 | −0.4938 | 0.1482 | 0.081* | |
C24 | 0.1808 (5) | −0.4864 (4) | −0.0022 (5) | 0.0527 (12) | |
H24 | 0.1949 | −0.5626 | −0.0459 | 0.063* | |
C25 | 0.1331 (6) | −0.4205 (5) | −0.0552 (5) | 0.0635 (15) | |
H25 | 0.1118 | −0.4510 | −0.1368 | 0.076* | |
C26 | 0.1145 (6) | −0.3085 (5) | 0.0079 (4) | 0.0544 (13) | |
H26 | 0.0806 | −0.2622 | −0.0303 | 0.065* | |
C27 | 0.2528 (8) | 0.4204 (7) | 0.3752 (6) | 0.127 (3) | |
D27 | 0.2777 | 0.4190 | 0.4496 | 0.152* | |
B1 | 0.7886 (8) | 0.6625 (5) | 0.3674 (5) | 0.072 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.0364 (2) | 0.03210 (17) | 0.03539 (18) | 0.01186 (14) | 0.01681 (15) | 0.02139 (14) |
Cl1 | 0.0461 (7) | 0.0700 (7) | 0.0639 (7) | 0.0298 (6) | 0.0317 (6) | 0.0518 (7) |
Cl2 | 0.164 (3) | 0.175 (3) | 0.131 (2) | −0.016 (3) | 0.011 (2) | 0.088 (2) |
Cl3 | 0.220 (4) | 0.220 (4) | 0.148 (3) | 0.081 (3) | 0.091 (3) | 0.110 (3) |
Cl4 | 0.335 (5) | 0.1004 (18) | 0.138 (2) | 0.004 (2) | 0.125 (3) | 0.0258 (17) |
P1 | 0.0378 (7) | 0.0334 (5) | 0.0348 (5) | 0.0111 (5) | 0.0134 (5) | 0.0202 (5) |
P2 | 0.0405 (7) | 0.0333 (5) | 0.0373 (6) | 0.0118 (5) | 0.0202 (5) | 0.0176 (5) |
F1 | 0.194 (6) | 0.109 (3) | 0.112 (4) | 0.027 (4) | 0.100 (4) | 0.014 (3) |
F2 | 0.139 (6) | 0.161 (6) | 0.159 (5) | −0.009 (5) | 0.069 (5) | 0.011 (4) |
F3 | 0.227 (5) | 0.166 (4) | 0.165 (4) | 0.021 (3) | 0.057 (4) | 0.119 (4) |
F4 | 0.171 (5) | 0.057 (2) | 0.094 (3) | 0.009 (3) | 0.071 (3) | 0.018 (2) |
C1 | 0.047 (3) | 0.052 (3) | 0.046 (3) | 0.016 (2) | 0.020 (2) | 0.034 (2) |
C2 | 0.050 (3) | 0.048 (2) | 0.035 (2) | 0.010 (2) | 0.020 (2) | 0.022 (2) |
C3 | 0.039 (3) | 0.036 (2) | 0.051 (3) | 0.017 (2) | 0.024 (2) | 0.024 (2) |
C4 | 0.044 (3) | 0.036 (2) | 0.052 (3) | 0.013 (2) | 0.022 (2) | 0.021 (2) |
C5 | 0.051 (3) | 0.042 (3) | 0.056 (3) | 0.015 (3) | 0.013 (3) | 0.016 (2) |
C6 | 0.046 (4) | 0.051 (3) | 0.096 (5) | −0.002 (3) | 0.016 (4) | 0.031 (3) |
C7 | 0.067 (5) | 0.093 (5) | 0.083 (5) | −0.013 (4) | 0.032 (4) | 0.040 (4) |
C8 | 0.057 (4) | 0.074 (4) | 0.063 (3) | −0.005 (3) | 0.030 (3) | 0.024 (3) |
C9 | 0.061 (3) | 0.040 (2) | 0.050 (3) | 0.022 (2) | 0.034 (3) | 0.021 (2) |
C10 | 0.088 (5) | 0.060 (3) | 0.071 (4) | 0.044 (4) | 0.013 (4) | 0.021 (3) |
C11 | 0.116 (6) | 0.083 (4) | 0.107 (5) | 0.066 (5) | 0.020 (4) | 0.035 (4) |
C12 | 0.129 (6) | 0.068 (4) | 0.103 (5) | 0.061 (4) | 0.040 (5) | 0.029 (4) |
C13 | 0.115 (6) | 0.047 (3) | 0.097 (5) | 0.027 (4) | 0.041 (4) | 0.015 (3) |
C14 | 0.073 (4) | 0.042 (3) | 0.077 (4) | 0.020 (3) | 0.029 (3) | 0.010 (3) |
C15 | 0.042 (3) | 0.035 (2) | 0.038 (2) | 0.009 (2) | 0.011 (2) | 0.0174 (19) |
C16 | 0.053 (4) | 0.065 (4) | 0.077 (4) | 0.007 (3) | 0.022 (3) | −0.006 (3) |
C17 | 0.078 (5) | 0.071 (4) | 0.075 (4) | 0.003 (4) | 0.029 (4) | −0.004 (3) |
C18 | 0.053 (4) | 0.072 (4) | 0.071 (4) | −0.002 (3) | 0.012 (3) | 0.018 (3) |
C19 | 0.066 (5) | 0.111 (5) | 0.098 (5) | 0.007 (4) | 0.046 (4) | 0.014 (4) |
C20 | 0.054 (4) | 0.080 (4) | 0.071 (4) | −0.007 (4) | 0.032 (3) | −0.006 (3) |
C21 | 0.037 (3) | 0.0283 (19) | 0.043 (2) | 0.0095 (19) | 0.013 (2) | 0.0183 (18) |
C22 | 0.081 (4) | 0.058 (3) | 0.060 (3) | 0.041 (3) | 0.034 (3) | 0.039 (3) |
C23 | 0.082 (4) | 0.052 (3) | 0.095 (4) | 0.039 (3) | 0.045 (4) | 0.047 (3) |
C24 | 0.050 (3) | 0.035 (2) | 0.068 (3) | 0.014 (2) | 0.026 (3) | 0.018 (2) |
C25 | 0.074 (4) | 0.054 (3) | 0.049 (3) | 0.025 (3) | 0.022 (3) | 0.013 (2) |
C26 | 0.068 (4) | 0.046 (3) | 0.044 (3) | 0.021 (3) | 0.018 (3) | 0.020 (2) |
C27 | 0.156 (10) | 0.152 (9) | 0.070 (5) | 0.032 (8) | 0.039 (6) | 0.060 (6) |
B1 | 0.091 (6) | 0.056 (4) | 0.047 (4) | −0.003 (4) | 0.021 (4) | 0.016 (3) |
Pd1—P2 | 2.2335 (11) | C5—C6 | 1.352 (9) |
Pd1—P1 | 2.2407 (11) | C6—C7 | 1.380 (10) |
Pd1—Cl1i | 2.4077 (11) | C7—C8 | 1.356 (9) |
Pd1—Cl1 | 2.4100 (11) | C9—C10 | 1.368 (8) |
Cl1—Pd1i | 2.4077 (11) | C9—C14 | 1.378 (8) |
Cl2—C27 | 1.764 (8) | C10—C11 | 1.384 (8) |
Cl3—C27 | 1.772 (8) | C11—C12 | 1.351 (11) |
Cl4—C27 | 1.744 (7) | C12—C13 | 1.351 (11) |
P1—C15 | 1.806 (5) | C13—C14 | 1.393 (8) |
P1—C21 | 1.810 (4) | C15—C20 | 1.366 (8) |
P1—C1 | 1.842 (4) | C15—C16 | 1.388 (7) |
P2—C3 | 1.793 (5) | C16—C17 | 1.377 (10) |
P2—C9 | 1.804 (4) | C17—C18 | 1.367 (10) |
P2—C2 | 1.822 (5) | C18—C19 | 1.338 (10) |
F1—B1 | 1.322 (7) | C19—C20 | 1.380 (10) |
F2—B1 | 1.350 (8) | C21—C26 | 1.373 (6) |
F3—B1 | 1.344 (7) | C21—C22 | 1.391 (6) |
F4—B1 | 1.348 (6) | C22—C23 | 1.395 (7) |
C1—C2 | 1.533 (6) | C23—C24 | 1.349 (8) |
C3—C4 | 1.391 (6) | C24—C25 | 1.351 (8) |
C3—C8 | 1.391 (7) | C25—C26 | 1.397 (7) |
C4—C5 | 1.387 (7) | ||
P2—Pd1—P1 | 85.05 (4) | C14—C9—P2 | 120.0 (4) |
P2—Pd1—Cl1i | 176.76 (4) | C9—C10—C11 | 120.1 (6) |
P1—Pd1—Cl1i | 95.55 (4) | C12—C11—C10 | 120.5 (7) |
P2—Pd1—Cl1 | 92.66 (4) | C13—C12—C11 | 120.6 (6) |
P1—Pd1—Cl1 | 175.30 (5) | C12—C13—C14 | 119.6 (7) |
Cl1i—Pd1—Cl1 | 86.96 (4) | C9—C14—C13 | 120.4 (6) |
Pd1i—Cl1—Pd1 | 93.04 (4) | C20—C15—C16 | 117.4 (5) |
C15—P1—C21 | 106.8 (2) | C20—C15—P1 | 121.8 (4) |
C15—P1—C1 | 108.0 (2) | C16—C15—P1 | 120.7 (4) |
C21—P1—C1 | 106.1 (2) | C17—C16—C15 | 120.5 (6) |
C15—P1—Pd1 | 111.70 (14) | C18—C17—C16 | 120.6 (6) |
C21—P1—Pd1 | 114.00 (14) | C19—C18—C17 | 119.1 (7) |
C1—P1—Pd1 | 109.91 (15) | C18—C19—C20 | 121.2 (7) |
C3—P2—C9 | 107.0 (2) | C15—C20—C19 | 121.1 (6) |
C3—P2—C2 | 107.6 (2) | C26—C21—C22 | 119.3 (4) |
C9—P2—C2 | 108.9 (2) | C26—C21—P1 | 121.8 (3) |
C3—P2—Pd1 | 112.39 (14) | C22—C21—P1 | 118.9 (3) |
C9—P2—Pd1 | 111.83 (16) | C21—C22—C23 | 118.9 (5) |
C2—P2—Pd1 | 108.92 (16) | C24—C23—C22 | 121.2 (5) |
C2—C1—P1 | 110.2 (3) | C23—C24—C25 | 120.2 (4) |
C1—C2—P2 | 108.1 (3) | C24—C25—C26 | 120.5 (5) |
C4—C3—C8 | 118.3 (5) | C21—C26—C25 | 119.9 (5) |
C4—C3—P2 | 121.0 (3) | Cl4—C27—Cl2 | 111.4 (5) |
C8—C3—P2 | 120.6 (4) | Cl4—C27—Cl3 | 107.4 (5) |
C5—C4—C3 | 120.0 (5) | Cl2—C27—Cl3 | 104.4 (5) |
C6—C5—C4 | 120.4 (5) | F1—B1—F3 | 115.0 (7) |
C5—C6—C7 | 120.0 (6) | F1—B1—F4 | 110.6 (5) |
C8—C7—C6 | 120.5 (6) | F3—B1—F4 | 110.2 (6) |
C7—C8—C3 | 120.8 (6) | F1—B1—F2 | 105.4 (6) |
C10—C9—C14 | 118.8 (5) | F3—B1—F2 | 103.1 (7) |
C10—C9—P2 | 121.0 (4) | F4—B1—F2 | 112.3 (7) |
Symmetry code: (i) −x, −y, −z. |
Experimental details
Crystal data | |
Chemical formula | [Pd2Cl2(C26H24P2)2](BF4)2·2CDCl3 |
Mr | 1494.85 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 10.8680 (14), 12.5889 (16), 13.835 (2) |
α, β, γ (°) | 114.432 (13), 109.881 (13), 95.870 (14) |
V (Å3) | 1554.0 (4) |
Z | 1 |
Radiation type | Mo Kα |
µ (mm−1) | 1.09 |
Crystal size (mm) | 0.18 × 0.16 × 0.12 |
Data collection | |
Diffractometer | Stoe-IPDS image-plate diffractometer |
Absorption correction | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 18439, 5632, 4418 |
Rint | 0.039 |
(sin θ/λ)max (Å−1) | 0.616 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.042, 0.114, 1.00 |
No. of reflections | 5632 |
No. of parameters | 352 |
No. of restraints | 91 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.93, −0.65 |
Computer programs: IPDS (Stoe & Cie, 1997), XMY93 (Debaerdemaeker, 1993), SHELX97 (Sheldrick, 1997), SHELXTL/PC (Sheldrick,1990).
Pd1—P2 | 2.2335 (11) | Pd1—Cl1i | 2.4077 (11) |
Pd1—P1 | 2.2407 (11) | Pd1—Cl1 | 2.4100 (11) |
P2—Pd1—P1 | 85.05 (4) | P2—Pd1—Cl1 | 92.66 (4) |
P2—Pd1—Cl1i | 176.76 (4) | P1—Pd1—Cl1 | 175.30 (5) |
P1—Pd1—Cl1i | 95.55 (4) | Cl1i—Pd1—Cl1 | 86.96 (4) |
Symmetry code: (i) −x, −y, −z. |
Solvated dicationic palladium(II) complexes bearing bidentate phosphine ligands have been successfully used as catalysts for alternating co-polymerization of alkenes with carbon monoxide (Abu-Surrah et al., 1996) and for polymerization of norbornene to poly(2,3-bicyclo[2.2.1]hept-2-ene) (Abu-Surrah et al., 1998). For both polymerization processes, halogenated solvents such as chloroform and dichloromethane have been used as polymerization media.
In the course of our work on homo- and copolymerization reactions of alkenes with palladium(II) catalysts (Abu-Surrah & Rieger, 1999), we found that the title compound, (I), results from the catalyst precursor bis(acetonitrile)bis[1,2-bis(diphenylphosphino)ethane]palladium(II) bis(tetrafluoroborate), [Pd(dppe)(NCCH3)2]2(BF4) (Xu et al., 1993), via recombination of the palladium cation with the chloride groups of the solvent (CDCl3). The resulting compound is inactive towards polymerization. Such deactivation through dimer formation was also reported in metallocene catalysis (Hackmann & Rieger, 1997).
The dinuclear palladium complex, [Pd2(dppe)2Cl2)]2(BF4)·2CDCl3 forms triclinic crystals with space group P1 and there is an inversion center between the Pd atoms. The Pd—Cl bonds in the title compound [2.4077 (11) and 2.4100 (11) Å] are longer than in the monomeric compound [Pd(dppe)Cl2]2CH2Cl2 (Steffen & Palenik, 1976; 2.361 (2) and 2.357 (2) Å]. In addition, the Cl—Pd—Cl angles decrease upon bridging from 94.19 (7) to 86.96 (4)°.