Research Article
Zinc(II) and Nickel(II) Benzoate Complexes from the Use of 1-methyl-4,5-diphenylimidazole
Table 1
Crystal data and refinement parameters for complexes 1·2MeOH and 2·2MeCN.
| | 1·2MeOH | 2·2MeCN |
| | Empirical formula | C48H46N4O6Zn | C64H54N6O8Ni2 | | Formula weight (g mol−1) | 840.26 | 1152.55 | | Temperature | 100(2) | 100(2) | | Wavelength | 0.71073 | 0.71073 | | Crystal system | monoclinic | Monoclinic | | Space group | | | | a (Å) | 13.8301(2) | 29.7994(16) | | b (Å) | 16.2359(2) | 10.4438(6) | | c (Å) | 18.6267(3) | 18.1018(11) | | () | 94.075(2) | 98.745(6) | | V (Å3) | 4171.94(10) | 5568.1(6) | | 4 | 4 | | Density (calculated) (g cm−3) | 1.338 | 1.375 | | Absorption coefficient (mm−1) | 0.644 | 0.739 | | F(000) | 1760 | 2400 | | Crystal size (mm) | | | | Colour, habit | colorless, prism | light green, plate | | range for data collection () | 3.07 to 30.29 | 3.15 to 30.39 | | Index ranges | | | | | | | | Reflections collected/unique () | | | | Observed reflections [I > 2σ(I)] | 7850 | 2906 | | Data/restraints/parameters | | | | Goodness-of-fit on F 2 | 0.962 | 0.805 | | Final , [I > 2σ(I)] | 0.0324, 0.0788 | 0.0392, 0.0591 | | Mean and max shift/error | 0.000 and 0.002 | 0.000 and 0.001 | | Largest diff. peak and hole (e Å−3) | 0.503 and | /0.666 |
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