Table 2. Selected Interatomic Distances (Å) and Angles (deg.) for Crystallographically Characterized Compoundsa.
| tptbz | C6(SiPr)6 | [(pdt)SnnBu2] | ||
|---|---|---|---|---|
| S–Carene | 1.7695[14] | 1.779[1] | Sn–S | 2.4401[5] |
| S–CiPr | 1.8303[14] | 1.838[1] | S–C | 1.775[2] |
| δb | 0.074 | 0.119 | Sn–C | 2.142[3] |
| σc | 0.038–0.109 | 0.057–0.164 | θ (deg)d | 28.3 |
| [Cl2M(tptbz)] |
||||
|---|---|---|---|---|
| M = Pd | M = Pt | [Cl2Pd(tpbzPdCl2] | ||
| M–S | 2.2718[13] | 2.2528[12] | M–S | 2.276[2] |
| M–Cl | 2.3070[14] | 2.3122[13] | M–Cl | 2.307[2] |
| MS–CiPr | 1.859[6] | 1.858[5] | MS–CiPr | 1.857[9] |
| MS–Carene | 1.775[5] | 1.788[4] | MS–Carene | 1.789[9] |
| openS–CiPr | 1.779[8] | 1.778[7] | Pd···Pd | 8.651(1) |
| openS–Carene | 1.765[5] | 1.766[5] | Cl–M–Cl | 90.77(11) |
| Cl–M–Cl | 91.98(9) | 90.35(8) | S–M–S | 89.99(10) |
| S–M–S | 90.13(6) | 90.45(6) | θe | 4.9(2) |
| θe | 6.2(1) | 4.9(1) | ||
| [(mnt)M(tptbz)] |
|||||
|---|---|---|---|---|---|
| M = Pd | M = Pt | [(pdt)Pt(tptbz)]f | [Cu(tptbz)]+n | ||
| M–Sdithiolene | 2.2693[3] | 2.2712[4] | 2.2614[5] | Cu–S | 2.2980[3] |
| M–Sthioether | 2.3246[3] | 2.3025[4] | 2.3095[5] | S–Cthioether | 1.7764[8] |
| Sdithiolene–C | 1.7370[11] | 1.738[2] | 1.764[2] | S–CiPr | 1.851[1] |
| MSthioether–Carene | 1.7797[10] | 1.780[1] | 1.781[2] | Cu···Cu | 8.619, 8.635 |
| MSthioether–CiPr | 1.8721[11] | 1.860(2)g | 1.866[3] | S–Cu–Schelate | 91.90[1] |
| openSthioether–Carene | 1.7662[9] | 1.757[1] | 1.762[2] | θ (deg)h | 88.96 |
| openSthioether–CiPr | 1.8178[10] | 1.825[2] | 1.824[2] | ||
| θi | 6.69(2) | 5.46(4) | 2.83[5] | ||
Uncertainties are propagated according to Taylor, J. R. An Introduction to Error Analysis; 2nd ed.; University Science Books: Sausalito, CA, 1997, pp 73–77. The square bracket represents the uncertainties propagated in the averaging of chemically identical values.
δ = mean displacement of S atoms from the C6 arene plane.
σ = range of S atom displacements from the C6 arene plane.
θ = fold angle between S2Sn and S2C2 planes.
θ = angle between Cl2M and S2M planes.
All values are averages for three independent molecules in the asymmetric unit of the cell.
Because of static disorder afflicting one of the SiPr groups, this table entry is a single, unaveraged bond length.
θ = angle between S2Cu chelate planes.
θ = angle between S2,dithioleneM and S2,dithioetherM planes.