Research Article
Structural and Spectroscopic Properties of Two New Isostructural
Complexes of Lapacholate with Cobalt and Copper
Table 1
Crystal data and structure solution methods and refinement results for M(Lap)2(DMF)2 (M: Co, Cu) complexes.
| | Co(Lap)2(DMF)2 | Cu(Lap)2(DMF)2 |
| | Empirical formula | C36H40CoN2O8 | C36H40CuN2O8 | | Formula weight | 687.63 | 692.24 | | Temperature (°K) | 296(2) | 120(2) | | Wavelength (Å) | 0.71 | 0.73 | | Crystal system, space group | Triclinic, P−1 (#2) | | Unit cell dimensions | | | | a(Å) | 7.7591(3) | 7.9308(2) | | b(Å) | 10.3560(3) | 10.0033(4) | | c(Å) | 11.2224(4) | 10.7508(4) | | (°) | 95.110(2) | 97.387(2) | | β(°) | 94.310(2) | 93.621(2) | | γ(°) | 107.704(2) | 103.980(2) | | Volume () | 850.65(5) | 816.83(5) | | Z, calculated density (Mg/m3) | 1, 1.342 | 1, 1.407 | | Absorption coefficient (mm1) | 0.558 | 0.725 | | F(000) | 361 | 363 | | Crystal size (mm) | 0.32 × 0.19 × 0.10 | 0.16 × 0.12 × 0.06 | | Crystal color/shape | dark red/prism | dark red/fragment | | -range for data collection (°) | 2.60 to 26.00 | 2.64 to 26.00 | | Index ranges | , , | , , | | Reflections collected/unique | 11610/3342 [R(int) = 0.0656] | 14328/3210 [R(int) = 0.0482] | | Completeness to | 99.6(%) | 99.8% | | Observed reflections | 2933 | 2888 | | Max. and min. transmission | 0.9447 and 0.8429 | 0.9578 and 0.8929 | | Data/restraints/ parameters | 3342/0/218 | 3210/0/218 | | Goodness of fit on | 1,043 | 1.053 | | Final indicesa | , | = 0.0330, | | R indices (all data) | , | , | | Largest peak and hole | 0.503 and −0.427 | 0.286 and −0.607 |
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indices defined as: , .
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