Unusual Seven Coordination of Oxovanadium(V) Oximato Complex: Synthesis and X-Ray Crystal Structure

Table 1

Crystal data and structure refinement parameters for [VO(acac)(dametsc)] (1).

C12H19N4O4SV	Empirical formula
366.314	Formula weight
298 K	Temperature
0.71073	Wavelength
Monoclinic	Crystal system
𝑃21/𝑐	Space group
	Unit cell dimensions
14.7658 (6) Å	𝑎
8.5776 (3) Å	𝑏
13.4142 (5) Å	𝑐
90.00°	𝛼=𝛾
95.2289 (13)°	𝛽
1691.91 (11) Å^3	Volume
4	𝑍
1.438 mg⋅m^−3	Density
0.73 mm^−1	Absorption coefficient
2.910–27.485°	Theta range for data collection
−19≤ℎ≤19, −10≤𝑘≤11, −17≤𝑙≤17	Index ranges
4455	Independent reflections
1729	Observed reflections
None	Absorption correction
1727	Reflections collected [𝐼 > 3σ (𝐼)]
Full-matrix least squares on 𝐹^2	Refinement method
4455/0/199	Reflections/restraints/parameters
0.76, −0.81	Δ𝜌max, Δ𝜌min (eÅ^−3)
𝑅1 = 0.050, 𝑤𝑅2 = 0.094	Final 𝑅 indices
𝑅1 = 0.142, 𝑤𝑅2 = 0.116	𝑅 indices (all data)