Di-μ-iodido-bis­[(biphenyl-2-yl)(triphenyl­phosphane-κP)palladium(II)]

Brown, S.; Crundwell, G.

doi:10.1107/S1600536812047733

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 12| December 2012| Page m1526

doi:10.1107/S1600536812047733

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Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κP)palladium(II)]

Shayne Brown ^a and Guy Crundwell ^a ^*

^aDepartment of Chemistry, Central Connecticut State University, New Britain, CT 06053, USA
^*Correspondence e-mail: crundwellg@mail.ccsu.edu

(Received 18 October 2012; accepted 20 November 2012; online 28 November 2012)

In the title compound, [Pd₂(C₁₂H₉)₂I₂(C₁₈H₁₅P)₂], the dimeric complex molecule lies about an inversion center. The Pd⋯I⋯Pd bridges are slightly asymmetric, with Pd—I distances of 2.6709 (6) and 2.7486 (7) Å. The metal atom has a slightly puckered square-planar CI₂P environment, the largest deviation from the least-squares plane being 0.143 (8) Å.

Related literature

For crystal structures containing Pt₂I₂ units, see: Grushin & Alper (1993 ); Marshall et al. (2001 ); Lang et al. (2006 ).

Experimental

Crystal data

[Pd₂(C₁₂H₉)₂I₂(C₁₈H₁₅P)₂]
M_r = 1297.52
Monoclinic, P 2₁ /c
a = 9.6957 (4) Å
b = 20.0969 (10) Å
c = 18.3718 (7) Å
β = 133.962 (4)°
V = 2576.8 (2) Å³
Z = 2
Mo Kα radiation
μ = 2.00 mm⁻¹
T = 293 K
0.25 × 0.18 × 0.12 mm

Data collection

Oxford Diffraction Xcalibur Sapphire3 diffractometer
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]$ ) T_min = 0.845, T_max = 1.000
12030 measured reflections
6087 independent reflections
3783 reflections with I > 2σ(I)
R_int = 0.035

Refinement

R[F² > 2σ(F²)] = 0.057
wR(F²) = 0.134
S = 1.02
6087 reflections
298 parameters
H-atom parameters constrained
Δρ_max = 1.92 e Å⁻³
Δρ_min = −0.77 e Å⁻³

Data collection: CrysAlis CCD (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]$ ); cell refinement: CrysAlis PRO (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]$ ); data reduction: CrysAlis RED (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536812047733/yk2076sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812047733/yk2076Isup2.hkl

checkCIF report

Comment top

The molecule of the title compound sits on a crystallographic inversion center; thereby requiring only half the molecule to be defined in the asymmetric unit and resulting in a trans- configuration. The metal centers are a slightly puckered square planar geometry. Like similar compounds containing bridging iodines, the iodines are not centered directly between the two metals; instead they have distances of 2.6709 (6) Å and 2.7486 (7) Å from the metal centers [Grushin & Alper, 1993; Marshall et al., 2001; & Lang et al., 2006]. The biphenyl ring is not planar; within the molecule one ring has an angle of 51.89 (39)° relative to the other. All other bond lengths and angles fall within normal values.

Related literature top

For crystal structures containing Pt₂I₂ units, see: Grushin & Alper (1993); Marshall et al. (2001); Lang et al. (2006).

Experimental top

To a 100 mL three-neck round bottom flask, 0.500 grams of tetrakis(triphenylphosphane)palladium(0) (C₇₂H₆₀P₄Pd, 4.33 x 10 ^-4 mol) was dissolved in 20 ml anhydrous toluene under a stream of Ar gas. With stirring, 1.82 ml of 2-iodobiphenyl (C₁₂H₉I, 6.49 x 10 ^-4 mol) was added. The entire reaction was stirred under Ar gas at room temperature for six days. Small yellow crystals formed on the side of the round bottom flask after four days of slow evaporation of the toluene. The crystals slowly decomposed upon heating, being completely destroyed before reaching 150°C.

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2009); cell refinement: CrysAlis PRO (Oxford Diffraction, 2009); data reduction: CrysAlis RED (Oxford Diffraction, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

Fig. 1. A view of the title compound. Displacement ellipsoids are drawn at the 50% probability level.

Di-µ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κP)palladium(II)] top

Crystal data top

[Pd₂(C₁₂H₉)₂I₂(C₁₈H₁₅P)₂]	F(000) = 1272
M_r = 1297.52	D_x = 1.672 Mg m⁻³
Monoclinic, P2₁/c	Melting point: 423 K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 9.6957 (4) Å	Cell parameters from 4701 reflections
b = 20.0969 (10) Å	θ = 4.1–29.6°
c = 18.3718 (7) Å	µ = 2.00 mm⁻¹
β = 133.962 (4)°	T = 293 K
V = 2576.8 (2) Å³	Block, yellow
Z = 2	0.25 × 0.18 × 0.12 mm

Data collection top

Oxford Diffraction Xcalibur Sapphire3 diffractometer	6087 independent reflections
Radiation source: fine-focus sealed tube	3783 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
Detector resolution: 16.1790 pixels mm^-1	θ_max = 28.3°, θ_min = 4.3°
ω scans	h = −12→10
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009)	k = −25→19
T_min = 0.845, T_max = 1.000	l = −24→23
12030 measured reflections

Refinement top

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)] = 0.057	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.134	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0678P)² + 0.4388P] where P = (F_o² + 2F_c²)/3
6087 reflections	(Δ/σ)_max = 0.001
298 parameters	Δρ_max = 1.92 e Å⁻³
0 restraints	Δρ_min = −0.77 e Å⁻³

Crystal data top

[Pd₂(C₁₂H₉)₂I₂(C₁₈H₁₅P)₂]	V = 2576.8 (2) Å³
M_r = 1297.52	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 9.6957 (4) Å	µ = 2.00 mm⁻¹
b = 20.0969 (10) Å	T = 293 K
c = 18.3718 (7) Å	0.25 × 0.18 × 0.12 mm
β = 133.962 (4)°

Data collection top

Oxford Diffraction Xcalibur Sapphire3 diffractometer	6087 independent reflections
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009)	3783 reflections with I > 2σ(I)
T_min = 0.845, T_max = 1.000	R_int = 0.035
12030 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.057	0 restraints
wR(F²) = 0.134	H-atom parameters constrained
S = 1.02	Δρ_max = 1.92 e Å⁻³
6087 reflections	Δρ_min = −0.77 e Å⁻³
298 parameters

Special details top

Experimental. Empirical absorption correction using spherical harmonics implemented in SCALE3 ABSPACK scaling algorithm (CrysAlis RED; Oxford Diffraction, 2009)

Hydrogen atoms were placed in calculated positions with C—H distances of 0.93 Å and were included in the refinement in riding motion approximation with U_iso = 1.2U_eq of the carrier atom.

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

	x	y	z	U_iso*/U_eq
Pd1	0.79025 (6)	0.05054 (2)	0.37739 (3)	0.04167 (15)
I1	1.16659 (5)	0.06784 (2)	0.53368 (3)	0.05752 (17)
C1	0.7754 (8)	0.1416 (4)	0.3248 (4)	0.0551 (17)
C2	0.8449 (9)	0.1495 (4)	0.2822 (5)	0.067 (2)
H2	0.9040	0.1142	0.2801	0.081*
C3	0.8265 (13)	0.2129 (6)	0.2404 (6)	0.088 (3)
H3	0.8758	0.2197	0.2121	0.106*
C4	0.7348 (15)	0.2634 (5)	0.2430 (7)	0.100 (3)
H4	0.7177	0.3040	0.2135	0.120*
C5	0.6681 (12)	0.2555 (4)	0.2877 (6)	0.083 (3)
H5	0.6088	0.2910	0.2895	0.099*
C6	0.6881 (9)	0.1952 (3)	0.3305 (5)	0.0588 (18)
C7	0.6180 (11)	0.1889 (4)	0.3831 (6)	0.068 (2)
C8	0.7372 (13)	0.1662 (4)	0.4818 (6)	0.079 (2)
H8	0.8631	0.1549	0.5171	0.095*
C9	0.6734 (18)	0.1603 (5)	0.5279 (8)	0.106 (3)
H9	0.7567	0.1455	0.5944	0.127*
C10	0.489 (2)	0.1758 (6)	0.4780 (12)	0.119 (4)
H10	0.4438	0.1685	0.5086	0.143*
C11	0.3707 (18)	0.2021 (6)	0.3832 (11)	0.112 (4)
H11	0.2478	0.2155	0.3512	0.134*
C12	0.4308 (12)	0.2092 (5)	0.3339 (8)	0.092 (3)
H12	0.3492	0.2272	0.2691	0.110*
P3	0.4805 (2)	0.03204 (8)	0.23017 (10)	0.0410 (4)
C13	0.4662 (8)	−0.0292 (3)	0.1506 (4)	0.0480 (15)
C14	0.6076 (11)	−0.0734 (4)	0.1914 (6)	0.071 (2)
H14	0.7146	−0.0723	0.2607	0.085*
C15	0.5987 (12)	−0.1206 (4)	0.1328 (7)	0.086 (3)
H15	0.6977	−0.1510	0.1627	0.103*
C16	0.4449 (14)	−0.1217 (5)	0.0326 (7)	0.086 (3)
H16	0.4369	−0.1535	−0.0071	0.104*
C17	0.3022 (14)	−0.0773 (5)	−0.0111 (6)	0.093 (3)
H17	0.1976	−0.0781	−0.0808	0.112*
C18	0.3103 (11)	−0.0303 (4)	0.0472 (5)	0.080 (2)
H18	0.2114	0.0002	0.0168	0.097*
C19	0.3357 (8)	−0.0016 (3)	0.2508 (4)	0.0459 (14)
C20	0.1854 (10)	−0.0459 (4)	0.1846 (5)	0.0637 (19)
H20	0.1653	−0.0646	0.1315	0.076*
C21	0.0680 (11)	−0.0617 (4)	0.1982 (7)	0.080 (2)
H21	−0.0323	−0.0914	0.1542	0.096*
C22	0.0958 (12)	−0.0342 (5)	0.2767 (7)	0.087 (3)
H22	0.0118	−0.0442	0.2836	0.105*
C23	0.2466 (12)	0.0077 (5)	0.3437 (7)	0.079 (2)
H23	0.2669	0.0255	0.3973	0.095*
C24	0.3684 (9)	0.0237 (4)	0.3323 (5)	0.0603 (18)
H24	0.4727	0.0514	0.3789	0.072*
C25	0.3342 (8)	0.1009 (3)	0.1431 (4)	0.0488 (15)
C26	0.1787 (10)	0.1252 (4)	0.1242 (6)	0.075 (2)
H26	0.1425	0.1057	0.1548	0.090*
C27	0.0765 (12)	0.1788 (5)	0.0592 (7)	0.097 (3)
H27	−0.0303	0.1947	0.0449	0.116*
C28	0.1319 (12)	0.2082 (5)	0.0165 (7)	0.089 (3)
H28	0.0675	0.2458	−0.0234	0.107*
C29	0.2765 (12)	0.1840 (4)	0.0309 (6)	0.080 (2)
H29	0.3082	0.2032	−0.0019	0.097*
C30	0.3794 (10)	0.1307 (4)	0.0942 (5)	0.068 (2)
H30	0.4813	0.1143	0.1042	0.082*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pd1	0.0298 (2)	0.0497 (3)	0.0306 (2)	0.00165 (18)	0.01537 (18)	0.00405 (19)
I1	0.0344 (2)	0.0661 (3)	0.0443 (2)	−0.00152 (18)	0.01692 (19)	0.0123 (2)
C1	0.035 (3)	0.065 (5)	0.035 (3)	−0.013 (3)	0.013 (3)	0.002 (3)
C2	0.053 (4)	0.087 (6)	0.041 (4)	−0.005 (4)	0.025 (3)	0.011 (4)
C3	0.081 (6)	0.118 (9)	0.057 (5)	−0.021 (5)	0.045 (5)	0.010 (5)
C4	0.102 (7)	0.092 (8)	0.064 (5)	−0.038 (6)	0.043 (6)	0.008 (5)
C5	0.088 (6)	0.052 (5)	0.061 (5)	−0.008 (4)	0.034 (5)	0.006 (4)
C6	0.053 (4)	0.042 (4)	0.049 (4)	−0.007 (3)	0.023 (3)	0.003 (3)
C7	0.071 (5)	0.050 (5)	0.074 (5)	−0.003 (4)	0.047 (5)	−0.012 (4)
C8	0.098 (6)	0.075 (6)	0.073 (5)	0.003 (5)	0.062 (5)	−0.008 (4)
C9	0.161 (11)	0.092 (8)	0.106 (8)	0.002 (7)	0.108 (9)	−0.007 (6)
C10	0.149 (12)	0.107 (10)	0.156 (12)	−0.014 (8)	0.125 (11)	−0.031 (8)
C11	0.110 (9)	0.109 (9)	0.152 (11)	−0.009 (7)	0.104 (9)	−0.040 (8)
C12	0.076 (6)	0.078 (7)	0.099 (7)	−0.003 (4)	0.053 (6)	−0.020 (5)
P3	0.0330 (7)	0.0439 (10)	0.0318 (7)	0.0029 (6)	0.0172 (6)	0.0024 (6)
C13	0.044 (3)	0.047 (4)	0.045 (3)	0.000 (3)	0.028 (3)	−0.008 (3)
C14	0.069 (5)	0.075 (6)	0.064 (5)	0.007 (4)	0.045 (4)	−0.008 (4)
C15	0.080 (6)	0.091 (7)	0.084 (6)	0.010 (5)	0.056 (5)	−0.015 (5)
C16	0.101 (7)	0.092 (7)	0.085 (6)	−0.006 (5)	0.071 (6)	−0.027 (5)
C17	0.093 (7)	0.112 (8)	0.054 (5)	−0.004 (5)	0.043 (5)	−0.023 (5)
C18	0.067 (5)	0.088 (6)	0.043 (4)	0.012 (4)	0.022 (4)	−0.015 (4)
C19	0.041 (3)	0.044 (4)	0.043 (3)	0.002 (3)	0.026 (3)	0.004 (3)
C20	0.053 (4)	0.066 (5)	0.057 (4)	−0.011 (3)	0.033 (4)	−0.004 (4)
C21	0.060 (5)	0.085 (6)	0.072 (5)	−0.022 (4)	0.037 (4)	0.006 (4)
C22	0.063 (5)	0.116 (8)	0.091 (6)	−0.013 (5)	0.056 (5)	0.008 (6)
C23	0.077 (5)	0.101 (7)	0.082 (5)	−0.001 (5)	0.064 (5)	0.001 (5)
C24	0.053 (4)	0.068 (5)	0.059 (4)	−0.010 (3)	0.038 (4)	−0.014 (4)
C25	0.032 (3)	0.051 (4)	0.037 (3)	0.001 (3)	0.014 (3)	0.003 (3)
C26	0.056 (4)	0.075 (6)	0.076 (5)	0.019 (4)	0.039 (4)	0.020 (4)
C27	0.074 (6)	0.104 (8)	0.097 (7)	0.047 (5)	0.054 (6)	0.040 (6)
C28	0.067 (5)	0.076 (6)	0.076 (6)	0.023 (4)	0.031 (5)	0.030 (5)
C29	0.072 (5)	0.075 (6)	0.056 (4)	−0.001 (4)	0.031 (4)	0.023 (4)
C30	0.053 (4)	0.077 (6)	0.053 (4)	0.007 (4)	0.028 (4)	0.020 (4)

Geometric parameters (Å, º) top

Pd1—C1	2.028 (7)	C14—C15	1.392 (10)
Pd1—P3	2.2792 (14)	C14—H14	0.9300
Pd1—I1	2.6709 (6)	C15—C16	1.343 (11)
Pd1—I1ⁱ	2.7486 (7)	C15—H15	0.9300
I1—Pd1ⁱ	2.7486 (7)	C16—C17	1.347 (12)
C1—C2	1.349 (9)	C16—H16	0.9300
C1—C6	1.417 (10)	C17—C18	1.389 (11)
C2—C3	1.434 (12)	C17—H17	0.9300
C2—H2	0.9300	C18—H18	0.9300
C3—C4	1.372 (13)	C19—C20	1.391 (9)
C3—H3	0.9300	C19—C24	1.392 (8)
C4—C5	1.361 (12)	C20—C21	1.362 (10)
C4—H4	0.9300	C20—H20	0.9300
C5—C6	1.385 (10)	C21—C22	1.384 (12)
C5—H5	0.9300	C21—H21	0.9300
C6—C7	1.525 (10)	C22—C23	1.366 (12)
C7—C8	1.386 (11)	C22—H22	0.9300
C7—C12	1.414 (10)	C23—C24	1.374 (9)
C8—C9	1.356 (11)	C23—H23	0.9300
C8—H8	0.9300	C24—H24	0.9300
C9—C10	1.366 (14)	C25—C26	1.380 (9)
C9—H9	0.9300	C25—C30	1.380 (9)
C10—C11	1.362 (15)	C26—C27	1.389 (11)
C10—H10	0.9300	C26—H26	0.9300
C11—C12	1.385 (13)	C27—C28	1.354 (11)
C11—H11	0.9300	C27—H27	0.9300
C12—H12	0.9300	C28—C29	1.326 (11)
P3—C19	1.821 (6)	C28—H28	0.9300
P3—C25	1.827 (6)	C29—C30	1.373 (10)
P3—C13	1.842 (6)	C29—H29	0.9300
C13—C14	1.342 (9)	C30—H30	0.9300
C13—C18	1.381 (9)

C1—Pd1—P3	89.00 (16)	C13—C14—C15	121.9 (8)
C1—Pd1—I1	89.25 (16)	C13—C14—H14	119.1
P3—Pd1—I1	171.22 (4)	C15—C14—H14	119.1
C1—Pd1—I1ⁱ	174.70 (18)	C16—C15—C14	119.1 (8)
P3—Pd1—I1ⁱ	95.49 (4)	C16—C15—H15	120.5
I1—Pd1—I1ⁱ	86.730 (18)	C14—C15—H15	120.5
Pd1—I1—Pd1ⁱ	93.270 (18)	C15—C16—C17	120.6 (8)
C2—C1—C6	121.2 (7)	C15—C16—H16	119.7
C2—C1—Pd1	118.9 (6)	C17—C16—H16	119.7
C6—C1—Pd1	119.9 (5)	C16—C17—C18	120.4 (8)
C1—C2—C3	119.2 (8)	C16—C17—H17	119.8
C1—C2—H2	120.4	C18—C17—H17	119.8
C3—C2—H2	120.4	C13—C18—C17	119.6 (7)
C4—C3—C2	118.7 (8)	C13—C18—H18	120.2
C4—C3—H3	120.6	C17—C18—H18	120.2
C2—C3—H3	120.6	C20—C19—C24	119.5 (6)
C5—C4—C3	121.8 (9)	C20—C19—P3	123.1 (5)
C5—C4—H4	119.1	C24—C19—P3	117.1 (5)
C3—C4—H4	119.1	C21—C20—C19	119.3 (7)
C4—C5—C6	120.4 (9)	C21—C20—H20	120.3
C4—C5—H5	119.8	C19—C20—H20	120.3
C6—C5—H5	119.8	C20—C21—C22	121.0 (7)
C5—C6—C1	118.6 (7)	C20—C21—H21	119.5
C5—C6—C7	119.0 (7)	C22—C21—H21	119.5
C1—C6—C7	122.4 (6)	C23—C22—C21	119.9 (8)
C8—C7—C12	117.8 (8)	C23—C22—H22	120.1
C8—C7—C6	121.5 (7)	C21—C22—H22	120.1
C12—C7—C6	120.6 (8)	C22—C23—C24	120.1 (8)
C9—C8—C7	121.2 (9)	C22—C23—H23	120.0
C9—C8—H8	119.4	C24—C23—H23	120.0
C7—C8—H8	119.4	C23—C24—C19	120.1 (7)
C8—C9—C10	121.0 (11)	C23—C24—H24	120.0
C8—C9—H9	119.5	C19—C24—H24	120.0
C10—C9—H9	119.5	C26—C25—C30	118.0 (6)
C11—C10—C9	119.5 (12)	C26—C25—P3	122.5 (5)
C11—C10—H10	120.3	C30—C25—P3	119.6 (5)
C9—C10—H10	120.3	C25—C26—C27	119.5 (8)
C10—C11—C12	121.1 (11)	C25—C26—H26	120.2
C10—C11—H11	119.5	C27—C26—H26	120.2
C12—C11—H11	119.5	C28—C27—C26	120.2 (8)
C11—C12—C7	119.2 (10)	C28—C27—H27	119.9
C11—C12—H12	120.4	C26—C27—H27	119.9
C7—C12—H12	120.4	C29—C28—C27	121.0 (8)
C19—P3—C25	102.8 (3)	C29—C28—H28	119.5
C19—P3—C13	105.9 (3)	C27—C28—H28	119.5
C25—P3—C13	103.1 (3)	C28—C29—C30	120.1 (8)
C19—P3—Pd1	112.63 (19)	C28—C29—H29	119.9
C25—P3—Pd1	119.9 (2)	C30—C29—H29	119.9
C13—P3—Pd1	111.23 (19)	C29—C30—C25	121.1 (7)
C14—C13—C18	118.5 (7)	C29—C30—H30	119.5
C14—C13—P3	120.9 (5)	C25—C30—H30	119.5
C18—C13—P3	120.6 (5)

Symmetry code: (i) −x+2, −y, −z+1.

Experimental details

Crystal data
Chemical formula	[Pd₂(C₁₂H₉)₂I₂(C₁₈H₁₅P)₂]
M_r	1297.52
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	9.6957 (4), 20.0969 (10), 18.3718 (7)
β (°)	133.962 (4)
V (Å³)	2576.8 (2)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	2.00
Crystal size (mm)	0.25 × 0.18 × 0.12

Data collection
Diffractometer	Oxford Diffraction Xcalibur Sapphire3 diffractometer
Absorption correction	Multi-scan (CrysAlis RED; Oxford Diffraction, 2009)
T_min, T_max	0.845, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	12030, 6087, 3783
R_int	0.035
(sin θ/λ)_max (Å⁻¹)	0.667

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.057, 0.134, 1.02
No. of reflections	6087
No. of parameters	298
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.92, −0.77

Computer programs: CrysAlis CCD (Oxford Diffraction, 2009), CrysAlis PRO (Oxford Diffraction, 2009), CrysAlis RED (Oxford Diffraction, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009), SHELXTL (Sheldrick, 2008).

Acknowledgements

This research was funded by a CCSU–AAUP research grant.

References

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