Research Article
Synthesis, Crystal Structure, and Antimicrobial Properties of [Diaquabis(hexamethylenetetramine)diisothiocyanato-κN]nickel(II) Complex
Table 1
Crystal data and structure refinement for the complex.
| | Empirical formula | C14H32N10NiO4S2 | | Formula weight | 527.33 | | Temperature | 100 K | | Wavelength (Å) | | | Crystal system | Monoclinic | | Space group | C2/c | | Unit cell dimensions | | | (Å) | 18.085(4) | | (Å) | 7.4019(16) | | (Å) | 17.422(4) | | α (°) | 90 | | β (°) | 91.527(2) | | γ (°) | 90 | | Unit cell volume | 2331.4(9) | | 4 | | 1112.0 | | Density (calculated) | 1.502 Mg/m3 | | Absorption coefficient | 1.054 mm−1 | | Crystal size | mm3 | | Theta range for data collection | 2.25 to 28.15 | | Indexes (, , ) | (24, 9, 23) | | Reflections collected | 6943 | | Independent and observed reflections | 2681[(int) = 0.0240], 2563 | | Completeness to theta = 26° | 99.8% | | Refinement method | Full-matrix least squares on | | Data/restraints/parameters | 2681/0/158 | | Goodness-of-fit on | 1.051 | | Final indices [] | , | | Final indices (all data) | , | | Largest diff. peak and hole | 0.875 and e·Å−3 |
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