Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807047617/lh2513sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807047617/lh2513Isup2.hkl |
CCDC reference: 667113
The title complex was prepared by dissolving cis-[Pt(N3)2(PPh3)2] (0.080 g, 0.10 mmol) and 4-fluorobenzonitrile (0.137 g, 1.00 mmol) in 5 ml of DMF and irradiating the solution with focused microwave for 1 h at 373 K. The product precipitated as a white solid which was washed several times with diethyl ether and dried in vacuo. Single crystals were grown by keeping the mother liquid at 277 K for several days. IR (KBr pellet): 1637 ν(C═ C). Anal. Calc. for Pt50H38N8P2F2:C, 57.41; H, 3.63; N, 10.71%. Found: C,57.12; H 3.67; N10.59%. Characterization by NMR spectroscopy was not possible due to the very poor solubility of the complex in common solvents.
All H atoms were placed in calculated positions with C—H = 0.95 Å and were included in the riding-motion approximation with Uiso(H) = 1.2Ueq(C).
Among heterocyles tetrazoles are an important species as they find use in e.g. material science, pharmaceutical chemistry and as precursors for various types of nitrogen containing heterocyles (Himo et al., 2003). Cycloaddition between an organic azide (RN3) and an organic nitrile (RCN) or isonitrile (RNC) provides tetrazoles, though in harsh conditions (Huisgen, 1968). However, the formation of substituted tetrazoles has been achieved by using a transition metal coordinated azide and free organonitriles (Kukushkin & Pombeiro, 2002) or isonitriles (Kim et al., 2002). Among several transition metals, platinum(II) has been used (Fehlhammer et al. 1983). The existence of several possible isomers for cycloadded compounds in solution was reported by them but the crystal structures were not determined. Herein we report the crystal structure of the tetrazolato complex trans-[Pt(5-p-fluorophenyltetrazolato)2(PPh3)2] (I).
Complex (I) (Fig. 1) is square-planar with the platinum(II) ion in a special position and coordinated to two N2 atoms of the tetrazol moieties and two phosphorus of the phosphines. The tetrazolato ring is nearly planar with bond lengths in the range 1.317 (3) - 1.349 (3) Å, which is similar to those of complexes trans-[Pt(N4CR)2(PPh3)2] (R = Ph or 4-ClC6H4), cis-[Pt(N4CPh)2(2,2-bipy)] and trans-[Pt(C≡ N)(ethyltetrazolato) (PPh3)2)] (Mukhopadhyay et al., 2007). All other bond lengths are normal (Allen et al., 1987; Orpen et al., 1989).
For related literature, see: Allen et al. (1987); Himo et al. (2003); Huisgen (1968); Kim et al. (2002); Kukushkin & Pombeiro (2002); Mukhopadhyay et al. (2007); Orpen et al. (1989).
For related literature, see: Fehlhammer et al. (1983); LePage (1987).
Data collection: APEX2 not SMART (Bruker, 2006); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: WinGX (Farrugia, 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
Fig. 1. The molecular structure of the title compound (50% probability displacement ellipsoids) |
[Pt(C7H4FN4)2(C18H15P)2] | F(000) = 1040 |
Mr = 1045.91 | Dx = 1.625 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71069 Å |
a = 11.9747 (10) Å | Cell parameters from 9539 reflections |
b = 9.5514 (8) Å | θ = 2.4–28.2° |
c = 18.8830 (18) Å | µ = 3.41 mm−1 |
β = 98.125 (5)° | T = 150 K |
V = 2138.1 (3) Å3 | Prism, colourless |
Z = 2 | 0.1 × 0.07 × 0.05 mm |
Bruker Kappa-APEXII diffractometer | 4253 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.064 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | θmax = 28.4°, θmin = 2.4° |
Tmin = 0.727, Tmax = 0.848 | h = −15→15 |
60325 measured reflections | k = −12→12 |
5330 independent reflections | l = −25→25 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.020 | w = 1/[σ2(Fo2) + (0.0197P)2 + 0.8432P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.047 | (Δ/σ)max = 0.001 |
S = 1.01 | Δρmax = 0.59 e Å−3 |
5330 reflections | Δρmin = −0.46 e Å−3 |
286 parameters |
[Pt(C7H4FN4)2(C18H15P)2] | V = 2138.1 (3) Å3 |
Mr = 1045.91 | Z = 2 |
Monoclinic, P21/n | Mo Kα radiation |
a = 11.9747 (10) Å | µ = 3.41 mm−1 |
b = 9.5514 (8) Å | T = 150 K |
c = 18.8830 (18) Å | 0.1 × 0.07 × 0.05 mm |
β = 98.125 (5)° |
Bruker Kappa-APEXII diffractometer | 5330 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | 4253 reflections with I > 2σ(I) |
Tmin = 0.727, Tmax = 0.848 | Rint = 0.064 |
60325 measured reflections |
R[F2 > 2σ(F2)] = 0.020 | 0 restraints |
wR(F2) = 0.047 | H-atom parameters constrained |
S = 1.01 | Δρmax = 0.59 e Å−3 |
5330 reflections | Δρmin = −0.46 e Å−3 |
286 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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.25933 (19) | 0.8162 (2) | 0.12471 (12) | 0.0212 (5) | |
C2 | 0.35904 (19) | 0.7248 (2) | 0.13425 (13) | 0.0236 (5) | |
C3 | 0.3966 (2) | 0.6622 (2) | 0.20023 (13) | 0.0267 (5) | |
H3 | 0.3579 | 0.6794 | 0.2399 | 0.032* | |
C4 | 0.4899 (2) | 0.5751 (3) | 0.20797 (14) | 0.0316 (6) | |
H4 | 0.5161 | 0.5322 | 0.2526 | 0.038* | |
C5 | 0.5436 (2) | 0.5523 (3) | 0.14959 (16) | 0.0313 (6) | |
C6 | 0.5094 (2) | 0.6118 (3) | 0.08396 (15) | 0.0334 (6) | |
H6 | 0.5489 | 0.5942 | 0.0446 | 0.04* | |
C7 | 0.4163 (2) | 0.6976 (3) | 0.07671 (14) | 0.0308 (6) | |
H7 | 0.3907 | 0.7389 | 0.0316 | 0.037* | |
C101 | −0.09454 (18) | 0.6805 (2) | 0.07073 (12) | 0.0191 (4) | |
C102 | −0.1385 (2) | 0.5590 (2) | 0.03659 (14) | 0.0300 (5) | |
H102 | −0.1903 | 0.5651 | −0.0063 | 0.036* | |
C103 | −0.1061 (2) | 0.4285 (2) | 0.06565 (15) | 0.0364 (6) | |
H103 | −0.1356 | 0.3457 | 0.0421 | 0.044* | |
C104 | −0.0329 (2) | 0.4187 (2) | 0.12727 (14) | 0.0306 (6) | |
H104 | −0.0131 | 0.3292 | 0.1472 | 0.037* | |
C105 | 0.0133 (2) | 0.5388 (3) | 0.16155 (15) | 0.0297 (6) | |
H105 | 0.0664 | 0.5315 | 0.2038 | 0.036* | |
C106 | −0.01898 (19) | 0.6690 (2) | 0.13330 (13) | 0.0247 (5) | |
H106 | 0.011 | 0.7512 | 0.1571 | 0.03* | |
C111 | −0.25426 (18) | 0.8254 (2) | −0.03436 (11) | 0.0182 (4) | |
C112 | −0.36433 (19) | 0.8649 (2) | −0.02846 (13) | 0.0268 (5) | |
H112 | −0.3807 | 0.9086 | 0.0141 | 0.032* | |
C113 | −0.4500 (2) | 0.8407 (3) | −0.08437 (14) | 0.0327 (6) | |
H113 | −0.525 | 0.8686 | −0.0803 | 0.039* | |
C114 | −0.4269 (2) | 0.7762 (3) | −0.14607 (13) | 0.0305 (6) | |
H114 | −0.4861 | 0.7588 | −0.1841 | 0.037* | |
C115 | −0.3176 (2) | 0.7367 (3) | −0.15279 (14) | 0.0306 (6) | |
H115 | −0.3017 | 0.6919 | −0.1952 | 0.037* | |
C116 | −0.2319 (2) | 0.7629 (2) | −0.09746 (13) | 0.0245 (5) | |
H116 | −0.1566 | 0.738 | −0.1025 | 0.029* | |
C121 | −0.20093 (17) | 0.9337 (2) | 0.10834 (11) | 0.0172 (4) | |
C122 | −0.19352 (19) | 1.0780 (2) | 0.11778 (12) | 0.0223 (5) | |
H122 | −0.1505 | 1.1321 | 0.0892 | 0.027* | |
C123 | −0.2485 (2) | 1.1434 (3) | 0.16862 (13) | 0.0279 (5) | |
H123 | −0.2429 | 1.242 | 0.1748 | 0.034* | |
C124 | −0.3111 (2) | 1.0653 (3) | 0.21010 (13) | 0.0303 (6) | |
H124 | −0.3479 | 1.1101 | 0.2453 | 0.036* | |
C125 | −0.3206 (2) | 0.9212 (3) | 0.20067 (13) | 0.0296 (6) | |
H125 | −0.365 | 0.8679 | 0.2287 | 0.036* | |
C126 | −0.26518 (19) | 0.8557 (2) | 0.15023 (12) | 0.0235 (5) | |
H126 | −0.271 | 0.7571 | 0.1441 | 0.028* | |
N1 | 0.19737 (15) | 0.83754 (19) | 0.06116 (10) | 0.0203 (4) | |
N11 | 0.11799 (15) | 0.92373 (18) | 0.07663 (9) | 0.0176 (4) | |
N12 | 0.12859 (17) | 0.9569 (2) | 0.14495 (11) | 0.0240 (4) | |
N13 | 0.21954 (16) | 0.8883 (2) | 0.17724 (10) | 0.0252 (4) | |
F1 | 0.63453 (14) | 0.46572 (17) | 0.15627 (11) | 0.0472 (5) | |
P1 | −0.13779 (5) | 0.85416 (5) | 0.03686 (3) | 0.01532 (11) | |
Pt1 | 0 | 1 | 0 | 0.01374 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0218 (11) | 0.0226 (11) | 0.0183 (11) | −0.0007 (9) | −0.0006 (9) | 0.0035 (9) |
C2 | 0.0208 (12) | 0.0250 (11) | 0.0236 (12) | −0.0002 (9) | −0.0022 (10) | 0.0038 (9) |
C3 | 0.0259 (12) | 0.0290 (12) | 0.0237 (13) | −0.0007 (10) | −0.0015 (10) | 0.0031 (10) |
C4 | 0.0300 (13) | 0.0305 (14) | 0.0301 (14) | 0.0017 (11) | −0.0096 (11) | 0.0063 (11) |
C5 | 0.0200 (12) | 0.0243 (11) | 0.0468 (17) | 0.0027 (10) | −0.0050 (12) | 0.0020 (12) |
C6 | 0.0273 (13) | 0.0386 (15) | 0.0348 (15) | 0.0038 (11) | 0.0064 (11) | −0.0008 (12) |
C7 | 0.0253 (13) | 0.0407 (14) | 0.0256 (13) | 0.0055 (11) | 0.0013 (10) | 0.0050 (11) |
C101 | 0.0201 (11) | 0.0170 (10) | 0.0216 (11) | 0.0006 (8) | 0.0079 (9) | 0.0024 (8) |
C102 | 0.0405 (15) | 0.0191 (11) | 0.0295 (14) | −0.0023 (11) | 0.0018 (11) | 0.0002 (11) |
C103 | 0.0542 (18) | 0.0150 (12) | 0.0407 (16) | −0.0018 (11) | 0.0096 (14) | 0.0001 (11) |
C104 | 0.0385 (15) | 0.0185 (12) | 0.0381 (15) | 0.0070 (10) | 0.0168 (12) | 0.0058 (10) |
C105 | 0.0276 (13) | 0.0306 (12) | 0.0315 (14) | 0.0041 (10) | 0.0064 (11) | 0.0099 (10) |
C106 | 0.0258 (12) | 0.0204 (11) | 0.0285 (13) | −0.0017 (9) | 0.0054 (10) | 0.0038 (9) |
C111 | 0.0199 (11) | 0.0170 (10) | 0.0176 (11) | −0.0038 (8) | 0.0015 (9) | 0.0020 (8) |
C112 | 0.0234 (12) | 0.0337 (12) | 0.0232 (13) | 0.0016 (10) | 0.0028 (10) | −0.0030 (10) |
C113 | 0.0220 (12) | 0.0446 (15) | 0.0299 (14) | 0.0033 (11) | −0.0016 (11) | −0.0009 (12) |
C114 | 0.0303 (14) | 0.0347 (13) | 0.0237 (13) | −0.0065 (11) | −0.0058 (11) | 0.0001 (10) |
C115 | 0.0378 (15) | 0.0323 (13) | 0.0221 (13) | −0.0071 (11) | 0.0056 (11) | −0.0067 (10) |
C116 | 0.0222 (12) | 0.0288 (12) | 0.0231 (12) | −0.0023 (9) | 0.0056 (10) | −0.0028 (10) |
C121 | 0.0155 (10) | 0.0204 (11) | 0.0152 (11) | −0.0009 (8) | 0.0008 (8) | 0.0001 (8) |
C122 | 0.0252 (12) | 0.0196 (11) | 0.0222 (12) | 0.0003 (9) | 0.0042 (10) | 0.0003 (9) |
C123 | 0.0298 (13) | 0.0270 (12) | 0.0263 (13) | 0.0060 (10) | 0.0011 (11) | −0.0089 (10) |
C124 | 0.0260 (13) | 0.0456 (15) | 0.0197 (13) | 0.0134 (11) | 0.0046 (10) | −0.0041 (11) |
C125 | 0.0260 (13) | 0.0402 (15) | 0.0240 (13) | 0.0044 (11) | 0.0080 (11) | 0.0077 (11) |
C126 | 0.0227 (11) | 0.0256 (11) | 0.0230 (12) | −0.0004 (9) | 0.0057 (10) | 0.0017 (9) |
N1 | 0.0202 (9) | 0.0221 (9) | 0.0185 (10) | 0.0035 (7) | 0.0022 (8) | 0.0037 (7) |
N11 | 0.0186 (9) | 0.0172 (9) | 0.0174 (9) | −0.0025 (7) | 0.0039 (7) | 0.0026 (7) |
N12 | 0.0254 (11) | 0.0264 (9) | 0.0200 (10) | 0.0024 (8) | 0.0023 (9) | 0.0024 (8) |
N13 | 0.0257 (10) | 0.0294 (10) | 0.0196 (10) | 0.0024 (8) | 0.0000 (8) | 0.0035 (8) |
F1 | 0.0299 (9) | 0.0437 (9) | 0.0650 (12) | 0.0160 (7) | −0.0039 (8) | 0.0021 (8) |
P1 | 0.0159 (3) | 0.0147 (2) | 0.0155 (3) | −0.0013 (2) | 0.0032 (2) | 0.0006 (2) |
Pt1 | 0.01427 (6) | 0.01345 (5) | 0.01367 (6) | −0.00017 (5) | 0.00250 (4) | 0.00131 (5) |
C1—N1 | 1.334 (3) | C112—C113 | 1.384 (3) |
C1—N13 | 1.349 (3) | C112—H112 | 0.95 |
C1—C2 | 1.469 (3) | C113—C114 | 1.380 (3) |
C2—C7 | 1.389 (3) | C113—H113 | 0.95 |
C2—C3 | 1.398 (3) | C114—C115 | 1.385 (4) |
C3—C4 | 1.384 (3) | C114—H114 | 0.95 |
C3—H3 | 0.95 | C115—C116 | 1.380 (3) |
C4—C5 | 1.370 (4) | C115—H115 | 0.95 |
C4—H4 | 0.95 | C116—H116 | 0.95 |
C5—F1 | 1.359 (3) | C121—C122 | 1.391 (3) |
C5—C6 | 1.372 (4) | C121—C126 | 1.395 (3) |
C6—C7 | 1.374 (3) | C121—P1 | 1.805 (2) |
C6—H6 | 0.95 | C122—C123 | 1.387 (3) |
C7—H7 | 0.95 | C122—H122 | 0.95 |
C101—C106 | 1.387 (3) | C123—C124 | 1.378 (4) |
C101—C102 | 1.394 (3) | C123—H123 | 0.95 |
C101—P1 | 1.826 (2) | C124—C125 | 1.391 (4) |
C102—C103 | 1.395 (3) | C124—H124 | 0.95 |
C102—H102 | 0.95 | C125—C126 | 1.385 (3) |
C103—C104 | 1.357 (4) | C125—H125 | 0.95 |
C103—H103 | 0.95 | C126—H126 | 0.95 |
C104—C105 | 1.393 (4) | N1—N11 | 1.321 (2) |
C104—H104 | 0.95 | N11—N12 | 1.317 (3) |
C105—C106 | 1.386 (3) | N11—Pt1 | 2.0106 (18) |
C105—H105 | 0.95 | N12—N13 | 1.341 (3) |
C106—H106 | 0.95 | P1—Pt1 | 2.3392 (5) |
C111—C112 | 1.391 (3) | Pt1—N11i | 2.0106 (18) |
C111—C116 | 1.392 (3) | Pt1—P1i | 2.3392 (5) |
C111—P1 | 1.816 (2) | ||
N1—C1—N13 | 111.95 (19) | C112—C113—H113 | 119.9 |
N1—C1—C2 | 122.7 (2) | C113—C114—C115 | 120.3 (2) |
N13—C1—C2 | 125.4 (2) | C113—C114—H114 | 119.9 |
C7—C2—C3 | 119.0 (2) | C115—C114—H114 | 119.9 |
C7—C2—C1 | 119.9 (2) | C116—C115—C114 | 119.5 (2) |
C3—C2—C1 | 121.1 (2) | C116—C115—H115 | 120.3 |
C4—C3—C2 | 120.3 (2) | C114—C115—H115 | 120.3 |
C4—C3—H3 | 119.8 | C115—C116—C111 | 120.9 (2) |
C2—C3—H3 | 119.8 | C115—C116—H116 | 119.5 |
C5—C4—C3 | 118.3 (2) | C111—C116—H116 | 119.5 |
C5—C4—H4 | 120.8 | C122—C121—C126 | 119.1 (2) |
C3—C4—H4 | 120.8 | C122—C121—P1 | 119.13 (16) |
F1—C5—C4 | 118.9 (2) | C126—C121—P1 | 121.49 (17) |
F1—C5—C6 | 118.0 (3) | C123—C122—C121 | 120.5 (2) |
C4—C5—C6 | 123.1 (2) | C123—C122—H122 | 119.8 |
C5—C6—C7 | 118.1 (2) | C121—C122—H122 | 119.8 |
C5—C6—H6 | 120.9 | C124—C123—C122 | 120.0 (2) |
C7—C6—H6 | 120.9 | C124—C123—H123 | 120 |
C6—C7—C2 | 121.1 (2) | C122—C123—H123 | 120 |
C6—C7—H7 | 119.4 | C123—C124—C125 | 120.3 (2) |
C2—C7—H7 | 119.4 | C123—C124—H124 | 119.9 |
C106—C101—C102 | 119.1 (2) | C125—C124—H124 | 119.9 |
C106—C101—P1 | 119.28 (17) | C126—C125—C124 | 119.8 (2) |
C102—C101—P1 | 121.63 (18) | C126—C125—H125 | 120.1 |
C101—C102—C103 | 119.8 (2) | C124—C125—H125 | 120.1 |
C101—C102—H102 | 120.1 | C125—C126—C121 | 120.3 (2) |
C103—C102—H102 | 120.1 | C125—C126—H126 | 119.8 |
C104—C103—C102 | 120.6 (2) | C121—C126—H126 | 119.8 |
C104—C103—H103 | 119.7 | N11—N1—C1 | 102.86 (18) |
C102—C103—H103 | 119.7 | N12—N11—N1 | 113.18 (18) |
C103—C104—C105 | 120.5 (2) | N12—N11—Pt1 | 125.35 (14) |
C103—C104—H104 | 119.7 | N1—N11—Pt1 | 121.41 (14) |
C105—C104—H104 | 119.7 | N11—N12—N13 | 106.71 (18) |
C106—C105—C104 | 119.3 (3) | N12—N13—C1 | 105.29 (18) |
C106—C105—H105 | 120.4 | C121—P1—C111 | 104.97 (10) |
C104—C105—H105 | 120.4 | C121—P1—C101 | 104.38 (10) |
C105—C106—C101 | 120.8 (2) | C111—P1—C101 | 105.78 (10) |
C105—C106—H106 | 119.6 | C121—P1—Pt1 | 111.07 (7) |
C101—C106—H106 | 119.6 | C111—P1—Pt1 | 111.71 (7) |
C112—C111—C116 | 118.9 (2) | C101—P1—Pt1 | 117.91 (7) |
C112—C111—P1 | 122.48 (17) | N11—Pt1—N11i | 180 |
C116—C111—P1 | 118.58 (17) | N11—Pt1—P1 | 91.35 (5) |
C113—C112—C111 | 120.2 (2) | N11i—Pt1—P1 | 88.65 (5) |
C113—C112—H112 | 119.9 | N11—Pt1—P1i | 88.65 (5) |
C111—C112—H112 | 119.9 | N11i—Pt1—P1i | 91.35 (5) |
C114—C113—C112 | 120.2 (2) | P1—Pt1—P1i | 180.00 (3) |
C114—C113—H113 | 119.9 |
Symmetry code: (i) −x, −y+2, −z. |
Experimental details
Crystal data | |
Chemical formula | [Pt(C7H4FN4)2(C18H15P)2] |
Mr | 1045.91 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 150 |
a, b, c (Å) | 11.9747 (10), 9.5514 (8), 18.8830 (18) |
β (°) | 98.125 (5) |
V (Å3) | 2138.1 (3) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 3.41 |
Crystal size (mm) | 0.1 × 0.07 × 0.05 |
Data collection | |
Diffractometer | Bruker Kappa-APEXII |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2003) |
Tmin, Tmax | 0.727, 0.848 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 60325, 5330, 4253 |
Rint | 0.064 |
(sin θ/λ)max (Å−1) | 0.669 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.020, 0.047, 1.01 |
No. of reflections | 5330 |
No. of parameters | 286 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.59, −0.46 |
Computer programs: APEX2 not SMART (Bruker, 2006), SAINT (Bruker, 2000), SAINT, WinGX (Farrugia, 1999), SHELXL97 (Sheldrick, 1997), ORTEP-3 for Windows (Farrugia, 1997).
C1—N1 | 1.334 (3) | N11—N12 | 1.317 (3) |
C1—N13 | 1.349 (3) | N12—N13 | 1.341 (3) |
N1—N11 | 1.321 (2) |
Among heterocyles tetrazoles are an important species as they find use in e.g. material science, pharmaceutical chemistry and as precursors for various types of nitrogen containing heterocyles (Himo et al., 2003). Cycloaddition between an organic azide (RN3) and an organic nitrile (RCN) or isonitrile (RNC) provides tetrazoles, though in harsh conditions (Huisgen, 1968). However, the formation of substituted tetrazoles has been achieved by using a transition metal coordinated azide and free organonitriles (Kukushkin & Pombeiro, 2002) or isonitriles (Kim et al., 2002). Among several transition metals, platinum(II) has been used (Fehlhammer et al. 1983). The existence of several possible isomers for cycloadded compounds in solution was reported by them but the crystal structures were not determined. Herein we report the crystal structure of the tetrazolato complex trans-[Pt(5-p-fluorophenyltetrazolato)2(PPh3)2] (I).
Complex (I) (Fig. 1) is square-planar with the platinum(II) ion in a special position and coordinated to two N2 atoms of the tetrazol moieties and two phosphorus of the phosphines. The tetrazolato ring is nearly planar with bond lengths in the range 1.317 (3) - 1.349 (3) Å, which is similar to those of complexes trans-[Pt(N4CR)2(PPh3)2] (R = Ph or 4-ClC6H4), cis-[Pt(N4CPh)2(2,2-bipy)] and trans-[Pt(C≡ N)(ethyltetrazolato) (PPh3)2)] (Mukhopadhyay et al., 2007). All other bond lengths are normal (Allen et al., 1987; Orpen et al., 1989).