metal-organic compounds
cis-Dibromidobis(2-phenylpyridine-κN)platinum(II)
aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea
*Correspondence e-mail: hakwang@chonnam.ac.kr
In the title complex, [PtBr2(C11H9N)2], the PtII ion has a distorted cis-Br2N2 square-planar coordination geometry defined by two N atoms from two 2-phenylpyridine (ppy) ligands and two Br− anions. The ppy ligands are not planar, the dihedral angles between the pyridine and benzene rings being 49.0 (3) and 47.3 (3)°. In the crystal, the complex molecules are stacked in columns along the a axis. In the columns, there are numerous intra- and intermolecular π–π interactions between the six-membered rings, the shortest ring centroid–centroid distance being 3.774 (6) Å.
Related literature
For the crystal structures of the related PtII and PdII complexes, cis-[PtCl2(ppy)2] and trans-[PdX2(ppy)2] (X = Cl or I), see: Yoshinari et al. (2010); Ha (2011, 2012).
Experimental
Crystal data
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Data collection: SMART (Bruker, 2000); cell SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.
Supporting information
To a solution of K2PtBr4 (0.2391 g, 0.403 mmol) in H2O (20 ml)/MeOH (100 ml) was added 2-phenylpyridine (0.1810 g, 1.166 mmol) and stirred for 7 h at room temperature. The formed brown precipitate was removed by filtration and the solvent of the filtrate was evaporated. The residue was washed with H2O and dried at 323 K, to give a yellow powder (0.1672 g). Crystals suitable for X-ray analysis were obtained by slow evaporation from a CH3CN solution at room temperature.
H atoms were positioned geometrically and allowed to ride on their respective parent atoms: C—H = 0.95 Å and Uiso(H) = 1.2Ueq(C). The highest peak (1.73 e Å-3) and the deepest hole (-0.93 e Å-3) in the difference Fourier map are located 1.31 Å and 0.88 Å, respectively, from the atoms H11 and Pt1.
Data collection: SMART (Bruker, 2000); cell
SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).Fig. 1. A view of the molecular structure of the title complex, with displacement ellipsoids drawn at the 40% probability level and the atom numbering. Fig. 2. A view of the unit-cell contents of the title complex. |
[PtBr2(C11H9N)2] | F(000) = 1248 |
Mr = 665.29 | Dx = 2.106 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C -2yc | Cell parameters from 4325 reflections |
a = 7.6268 (9) Å | θ = 2.2–26.0° |
b = 18.277 (2) Å | µ = 10.51 mm−1 |
c = 15.1626 (18) Å | T = 200 K |
β = 96.948 (2)° | Stick, yellow |
V = 2098.1 (4) Å3 | 0.24 × 0.20 × 0.14 mm |
Z = 4 |
Bruker SMART 1000 CCD diffractometer | 2931 independent reflections |
Radiation source: fine-focus sealed tube | 2645 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
ϕ and ω scans | θmax = 26.0°, θmin = 2.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −9→8 |
Tmin = 0.729, Tmax = 1.000 | k = −22→22 |
6126 measured reflections | l = −18→17 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.028 | H-atom parameters constrained |
wR(F2) = 0.068 | w = 1/[σ2(Fo2) + (0.0286P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 | (Δ/σ)max = 0.001 |
2931 reflections | Δρmax = 1.73 e Å−3 |
244 parameters | Δρmin = −0.93 e Å−3 |
2 restraints | Absolute structure: Flack (1983), 856 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.037 (13) |
[PtBr2(C11H9N)2] | V = 2098.1 (4) Å3 |
Mr = 665.29 | Z = 4 |
Monoclinic, Cc | Mo Kα radiation |
a = 7.6268 (9) Å | µ = 10.51 mm−1 |
b = 18.277 (2) Å | T = 200 K |
c = 15.1626 (18) Å | 0.24 × 0.20 × 0.14 mm |
β = 96.948 (2)° |
Bruker SMART 1000 CCD diffractometer | 2931 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | 2645 reflections with I > 2σ(I) |
Tmin = 0.729, Tmax = 1.000 | Rint = 0.029 |
6126 measured reflections |
R[F2 > 2σ(F2)] = 0.028 | H-atom parameters constrained |
wR(F2) = 0.068 | Δρmax = 1.73 e Å−3 |
S = 1.04 | Δρmin = −0.93 e Å−3 |
2931 reflections | Absolute structure: Flack (1983), 856 Friedel pairs |
244 parameters | Absolute structure parameter: −0.037 (13) |
2 restraints |
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 | ||
Pt1 | 0.39565 (2) | 0.136006 (14) | 0.162689 (18) | 0.02282 (10) | |
Br1 | 0.19970 (16) | 0.03626 (5) | 0.11234 (8) | 0.0369 (3) | |
Br2 | 0.5217 (2) | 0.14016 (7) | 0.02336 (11) | 0.0415 (4) | |
N1 | 0.5395 (11) | 0.2278 (4) | 0.2077 (6) | 0.030 (2) | |
N2 | 0.2978 (14) | 0.1281 (4) | 0.2842 (7) | 0.021 (2) | |
C1 | 0.4929 (14) | 0.2895 (5) | 0.1628 (8) | 0.035 (3) | |
H1 | 0.4181 | 0.2865 | 0.1081 | 0.042* | |
C2 | 0.5505 (16) | 0.3567 (5) | 0.1939 (10) | 0.042 (3) | |
H2 | 0.5197 | 0.3997 | 0.1605 | 0.051* | |
C3 | 0.6514 (16) | 0.3604 (5) | 0.2727 (10) | 0.044 (3) | |
H3 | 0.6870 | 0.4068 | 0.2970 | 0.052* | |
C4 | 0.7031 (14) | 0.2986 (5) | 0.3180 (8) | 0.040 (3) | |
H4 | 0.7776 | 0.3013 | 0.3728 | 0.048* | |
C5 | 0.6453 (13) | 0.2306 (5) | 0.2829 (7) | 0.029 (2) | |
C6 | 0.7103 (13) | 0.1613 (5) | 0.3294 (7) | 0.029 (2) | |
C7 | 0.7024 (15) | 0.1529 (7) | 0.4178 (8) | 0.043 (3) | |
H7 | 0.6555 | 0.1912 | 0.4503 | 0.052* | |
C8 | 0.7627 (16) | 0.0885 (7) | 0.4618 (9) | 0.052 (3) | |
H8 | 0.7560 | 0.0824 | 0.5235 | 0.063* | |
C9 | 0.8311 (17) | 0.0349 (7) | 0.4137 (10) | 0.056 (4) | |
H9 | 0.8734 | −0.0087 | 0.4429 | 0.067* | |
C10 | 0.8406 (15) | 0.0420 (6) | 0.3247 (9) | 0.046 (3) | |
H10 | 0.8896 | 0.0036 | 0.2931 | 0.055* | |
C11 | 0.7788 (14) | 0.1051 (5) | 0.2802 (8) | 0.036 (3) | |
H11 | 0.7827 | 0.1102 | 0.2181 | 0.043* | |
C12 | 0.3481 (13) | 0.0673 (4) | 0.3308 (7) | 0.027 (2) | |
H12 | 0.4130 | 0.0310 | 0.3039 | 0.032* | |
C13 | 0.3097 (13) | 0.0563 (5) | 0.4142 (7) | 0.029 (2) | |
H13 | 0.3388 | 0.0115 | 0.4441 | 0.035* | |
C14 | 0.2264 (13) | 0.1122 (5) | 0.4554 (7) | 0.033 (2) | |
H14 | 0.2045 | 0.1079 | 0.5156 | 0.040* | |
C15 | 0.1768 (13) | 0.1735 (6) | 0.4071 (7) | 0.031 (2) | |
H15 | 0.1160 | 0.2115 | 0.4335 | 0.037* | |
C16 | 0.2145 (12) | 0.1813 (5) | 0.3183 (6) | 0.023 (2) | |
C17 | 0.1496 (12) | 0.2463 (4) | 0.2664 (7) | 0.024 (2) | |
C18 | 0.1739 (13) | 0.3160 (5) | 0.3025 (8) | 0.035 (3) | |
H18 | 0.2335 | 0.3229 | 0.3606 | 0.042* | |
C19 | 0.1086 (17) | 0.3755 (6) | 0.2510 (11) | 0.052 (4) | |
H19 | 0.1232 | 0.4236 | 0.2745 | 0.062* | |
C20 | 0.0250 (16) | 0.3656 (6) | 0.1683 (10) | 0.046 (3) | |
H20 | −0.0162 | 0.4068 | 0.1337 | 0.055* | |
C21 | −0.0010 (15) | 0.2976 (6) | 0.1341 (8) | 0.045 (3) | |
H21 | −0.0622 | 0.2914 | 0.0762 | 0.054* | |
C22 | 0.0612 (12) | 0.2370 (5) | 0.1830 (7) | 0.028 (2) | |
H22 | 0.0426 | 0.1892 | 0.1589 | 0.033* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.02761 (18) | 0.01791 (14) | 0.02340 (18) | −0.0005 (2) | 0.00489 (12) | 0.0005 (2) |
Br1 | 0.0466 (7) | 0.0262 (5) | 0.0378 (6) | −0.0076 (5) | 0.0053 (5) | −0.0108 (5) |
Br2 | 0.0546 (10) | 0.0435 (8) | 0.0291 (8) | −0.0010 (6) | 0.0162 (7) | 0.0022 (6) |
N1 | 0.032 (5) | 0.026 (4) | 0.035 (5) | −0.008 (4) | 0.012 (4) | −0.002 (4) |
N2 | 0.018 (5) | 0.022 (4) | 0.021 (6) | −0.005 (3) | −0.003 (4) | 0.006 (4) |
C1 | 0.040 (6) | 0.019 (4) | 0.048 (7) | 0.001 (4) | 0.009 (5) | 0.008 (5) |
C2 | 0.044 (7) | 0.024 (5) | 0.062 (9) | −0.010 (5) | 0.019 (7) | 0.001 (5) |
C3 | 0.039 (7) | 0.020 (5) | 0.075 (10) | −0.013 (5) | 0.020 (7) | −0.010 (6) |
C4 | 0.038 (7) | 0.035 (6) | 0.047 (7) | −0.006 (5) | 0.008 (5) | −0.009 (5) |
C5 | 0.024 (5) | 0.031 (5) | 0.033 (6) | −0.008 (4) | 0.005 (4) | −0.005 (5) |
C6 | 0.027 (6) | 0.025 (4) | 0.033 (6) | −0.006 (4) | 0.003 (4) | 0.003 (4) |
C7 | 0.026 (6) | 0.067 (8) | 0.034 (7) | −0.008 (6) | −0.003 (5) | −0.011 (6) |
C8 | 0.046 (7) | 0.067 (8) | 0.042 (7) | −0.020 (7) | −0.002 (6) | 0.008 (7) |
C9 | 0.046 (8) | 0.046 (7) | 0.071 (10) | −0.009 (6) | −0.011 (7) | 0.026 (7) |
C10 | 0.040 (7) | 0.032 (6) | 0.061 (9) | −0.007 (5) | −0.012 (6) | −0.002 (6) |
C11 | 0.040 (6) | 0.028 (5) | 0.039 (7) | −0.001 (5) | 0.002 (5) | 0.008 (5) |
C12 | 0.032 (5) | 0.017 (4) | 0.031 (6) | −0.004 (4) | 0.000 (4) | 0.001 (4) |
C13 | 0.029 (6) | 0.025 (5) | 0.033 (6) | −0.005 (4) | 0.001 (5) | 0.007 (4) |
C14 | 0.033 (6) | 0.041 (5) | 0.026 (6) | −0.006 (5) | 0.005 (5) | 0.013 (5) |
C15 | 0.027 (6) | 0.037 (5) | 0.029 (6) | −0.007 (4) | 0.010 (4) | −0.007 (5) |
C16 | 0.022 (5) | 0.018 (4) | 0.027 (5) | −0.004 (4) | 0.001 (4) | 0.004 (4) |
C17 | 0.026 (5) | 0.014 (4) | 0.034 (6) | 0.000 (4) | 0.013 (4) | 0.002 (4) |
C18 | 0.026 (5) | 0.026 (5) | 0.053 (7) | −0.002 (4) | 0.005 (5) | −0.002 (5) |
C19 | 0.039 (7) | 0.026 (5) | 0.095 (12) | −0.005 (5) | 0.026 (8) | −0.006 (7) |
C20 | 0.038 (7) | 0.027 (6) | 0.076 (10) | 0.003 (5) | 0.018 (7) | 0.021 (6) |
C21 | 0.049 (7) | 0.044 (7) | 0.044 (7) | 0.023 (6) | 0.012 (6) | 0.013 (6) |
C22 | 0.024 (5) | 0.029 (5) | 0.030 (6) | 0.002 (4) | 0.005 (4) | 0.001 (4) |
Pt1—N1 | 2.075 (8) | C9—H9 | 0.9500 |
Pt1—N2 | 2.074 (10) | C10—C11 | 1.390 (14) |
Pt1—Br1 | 2.4216 (11) | C10—H10 | 0.9500 |
Pt1—Br2 | 2.4258 (15) | C11—H11 | 0.9500 |
N1—C5 | 1.316 (13) | C12—C13 | 1.347 (14) |
N1—C1 | 1.343 (12) | C12—H12 | 0.9500 |
N2—C16 | 1.303 (12) | C13—C14 | 1.391 (14) |
N2—C12 | 1.346 (12) | C13—H13 | 0.9500 |
C1—C2 | 1.368 (14) | C14—C15 | 1.366 (14) |
C1—H1 | 0.9500 | C14—H14 | 0.9500 |
C2—C3 | 1.343 (19) | C15—C16 | 1.418 (13) |
C2—H2 | 0.9500 | C15—H15 | 0.9500 |
C3—C4 | 1.356 (16) | C16—C17 | 1.477 (12) |
C3—H3 | 0.9500 | C17—C22 | 1.370 (14) |
C4—C5 | 1.400 (13) | C17—C18 | 1.389 (13) |
C4—H4 | 0.9500 | C18—C19 | 1.396 (17) |
C5—C6 | 1.505 (13) | C18—H18 | 0.9500 |
C6—C7 | 1.358 (16) | C19—C20 | 1.348 (19) |
C6—C11 | 1.406 (14) | C19—H19 | 0.9500 |
C7—C8 | 1.402 (17) | C20—C21 | 1.351 (16) |
C7—H7 | 0.9500 | C20—H20 | 0.9500 |
C8—C9 | 1.363 (17) | C21—C22 | 1.385 (13) |
C8—H8 | 0.9500 | C21—H21 | 0.9500 |
C9—C10 | 1.366 (18) | C22—H22 | 0.9500 |
N2—Pt1—N1 | 89.8 (3) | C9—C10—C11 | 120.1 (12) |
N2—Pt1—Br1 | 87.3 (3) | C9—C10—H10 | 119.9 |
N1—Pt1—Br1 | 173.9 (2) | C11—C10—H10 | 119.9 |
N2—Pt1—Br2 | 176.9 (3) | C10—C11—C6 | 118.4 (10) |
N1—Pt1—Br2 | 90.7 (2) | C10—C11—H11 | 120.8 |
Br1—Pt1—Br2 | 92.50 (5) | C6—C11—H11 | 120.8 |
C5—N1—C1 | 120.2 (9) | N2—C12—C13 | 122.4 (10) |
C5—N1—Pt1 | 124.1 (7) | N2—C12—H12 | 118.8 |
C1—N1—Pt1 | 114.5 (7) | C13—C12—H12 | 118.8 |
C16—N2—C12 | 121.9 (10) | C12—C13—C14 | 118.4 (9) |
C16—N2—Pt1 | 123.1 (7) | C12—C13—H13 | 120.8 |
C12—N2—Pt1 | 114.4 (7) | C14—C13—H13 | 120.8 |
N1—C1—C2 | 121.6 (12) | C15—C14—C13 | 118.2 (9) |
N1—C1—H1 | 119.2 | C15—C14—H14 | 120.9 |
C2—C1—H1 | 119.2 | C13—C14—H14 | 120.9 |
C3—C2—C1 | 118.6 (11) | C14—C15—C16 | 121.1 (9) |
C3—C2—H2 | 120.7 | C14—C15—H15 | 119.4 |
C1—C2—H2 | 120.7 | C16—C15—H15 | 119.4 |
C2—C3—C4 | 120.5 (10) | N2—C16—C15 | 117.8 (9) |
C2—C3—H3 | 119.7 | N2—C16—C17 | 122.5 (9) |
C4—C3—H3 | 119.7 | C15—C16—C17 | 119.5 (8) |
C3—C4—C5 | 119.2 (11) | C22—C17—C18 | 120.3 (9) |
C3—C4—H4 | 120.4 | C22—C17—C16 | 119.1 (8) |
C5—C4—H4 | 120.4 | C18—C17—C16 | 120.5 (9) |
N1—C5—C4 | 119.7 (10) | C17—C18—C19 | 118.2 (11) |
N1—C5—C6 | 120.4 (9) | C17—C18—H18 | 120.9 |
C4—C5—C6 | 119.9 (9) | C19—C18—H18 | 120.9 |
C7—C6—C11 | 120.4 (10) | C20—C19—C18 | 120.8 (11) |
C7—C6—C5 | 120.3 (9) | C20—C19—H19 | 119.6 |
C11—C6—C5 | 119.3 (9) | C18—C19—H19 | 119.6 |
C6—C7—C8 | 120.8 (11) | C19—C20—C21 | 120.7 (11) |
C6—C7—H7 | 119.6 | C19—C20—H20 | 119.6 |
C8—C7—H7 | 119.6 | C21—C20—H20 | 119.6 |
C9—C8—C7 | 118.3 (12) | C20—C21—C22 | 120.4 (12) |
C9—C8—H8 | 120.9 | C20—C21—H21 | 119.8 |
C7—C8—H8 | 120.9 | C22—C21—H21 | 119.8 |
C8—C9—C10 | 122.0 (12) | C17—C22—C21 | 119.5 (9) |
C8—C9—H9 | 119.0 | C17—C22—H22 | 120.3 |
C10—C9—H9 | 119.0 | C21—C22—H22 | 120.3 |
N2—Pt1—N1—C5 | 51.4 (8) | C8—C9—C10—C11 | −0.3 (19) |
Br2—Pt1—N1—C5 | −125.5 (7) | C9—C10—C11—C6 | 1.2 (16) |
N2—Pt1—N1—C1 | −116.7 (7) | C7—C6—C11—C10 | −1.2 (15) |
Br2—Pt1—N1—C1 | 66.4 (7) | C5—C6—C11—C10 | 179.0 (9) |
N1—Pt1—N2—C16 | 55.9 (9) | C16—N2—C12—C13 | 2.7 (16) |
Br1—Pt1—N2—C16 | −118.6 (9) | Pt1—N2—C12—C13 | 174.1 (8) |
N1—Pt1—N2—C12 | −115.3 (8) | N2—C12—C13—C14 | −4.8 (15) |
Br1—Pt1—N2—C12 | 70.1 (8) | C12—C13—C14—C15 | 4.4 (15) |
C5—N1—C1—C2 | −1.1 (15) | C13—C14—C15—C16 | −2.2 (14) |
Pt1—N1—C1—C2 | 167.5 (8) | C12—N2—C16—C15 | −0.2 (15) |
N1—C1—C2—C3 | −2.1 (16) | Pt1—N2—C16—C15 | −170.9 (7) |
C1—C2—C3—C4 | 3.6 (17) | C12—N2—C16—C17 | −176.5 (9) |
C2—C3—C4—C5 | −2.0 (16) | Pt1—N2—C16—C17 | 12.9 (14) |
C1—N1—C5—C4 | 2.7 (14) | C14—C15—C16—N2 | 0.1 (14) |
Pt1—N1—C5—C4 | −164.7 (7) | C14—C15—C16—C17 | 176.4 (9) |
C1—N1—C5—C6 | −174.7 (8) | N2—C16—C17—C22 | 45.9 (13) |
Pt1—N1—C5—C6 | 17.9 (12) | C15—C16—C17—C22 | −130.2 (9) |
C3—C4—C5—N1 | −1.2 (15) | N2—C16—C17—C18 | −135.6 (10) |
C3—C4—C5—C6 | 176.2 (9) | C15—C16—C17—C18 | 48.2 (13) |
N1—C5—C6—C7 | −132.2 (11) | C22—C17—C18—C19 | −1.0 (14) |
C4—C5—C6—C7 | 50.3 (13) | C16—C17—C18—C19 | −179.4 (9) |
N1—C5—C6—C11 | 47.6 (13) | C17—C18—C19—C20 | −0.4 (16) |
C4—C5—C6—C11 | −129.9 (10) | C18—C19—C20—C21 | 1.5 (18) |
C11—C6—C7—C8 | 0.2 (16) | C19—C20—C21—C22 | −1.3 (17) |
C5—C6—C7—C8 | −180.0 (9) | C18—C17—C22—C21 | 1.2 (14) |
C6—C7—C8—C9 | 0.7 (17) | C16—C17—C22—C21 | 179.7 (8) |
C7—C8—C9—C10 | −0.7 (18) | C20—C21—C22—C17 | −0.1 (15) |
Experimental details
Crystal data | |
Chemical formula | [PtBr2(C11H9N)2] |
Mr | 665.29 |
Crystal system, space group | Monoclinic, Cc |
Temperature (K) | 200 |
a, b, c (Å) | 7.6268 (9), 18.277 (2), 15.1626 (18) |
β (°) | 96.948 (2) |
V (Å3) | 2098.1 (4) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 10.51 |
Crystal size (mm) | 0.24 × 0.20 × 0.14 |
Data collection | |
Diffractometer | Bruker SMART 1000 CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2000) |
Tmin, Tmax | 0.729, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 6126, 2931, 2645 |
Rint | 0.029 |
(sin θ/λ)max (Å−1) | 0.618 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.028, 0.068, 1.04 |
No. of reflections | 2931 |
No. of parameters | 244 |
No. of restraints | 2 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.73, −0.93 |
Absolute structure | Flack (1983), 856 Friedel pairs |
Absolute structure parameter | −0.037 (13) |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009).
Acknowledgements
This work was supported by the Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2011–0030747).
References
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Crystal structures of the related PtII and PdII complexes, such as cis-[PtCl2(ppy)2] (ppy = 2-phenylpyridine, C11H9N) (Yoshinari et al., 2010) and trans-[PdX2(ppy)2] (X = Cl or I) (Ha, 2011; Ha, 2012), have been investigated previously.
The PtII ion in the title complex, [PtBr2(ppy)2], has a distorted cis-Br2N2 square-planar coordination geometry defined by two N atoms from two ppy ligands and two Br- anions (Fig. 1). The Pt—N and Pt—Br bond lengths are nearly equivalent, respectively (Table 1). In the crystal, the two pyridine rings are inclined to the least-squares plane of the PtBr2N2 unit [maximum deviation = 0.092 (4) Å], making dihedral angles of 61.6 (2)° and 64.0 (2)°. The ppy ligands are not planar, the dihedral angles between the pyridine and benzene rings being 49.0 (3)° and 47.3 (3)°. The complex molecules are stacked in columns along the a axis. In the columns, numerous intra- and intermolecular π-π interactions between the six-membered rings are present, the shortest ring centroid-centroid distance being 3.774 (6) Å (Fig. 2).