Crystal Structure of [Bis(L-Alaninato)Diaqua]Nickel(II) Dihydrate

Table 1

Crystal data and structure refinement of the title compound.

Empirical formula	C6H20N2NiO8
Formula weight	306.95
Temperature	150(2) K
Wavelength	0.71073 Å
Crystal system	Monoclinic
Space group	C2
Unit cell dimensions	a = 20.162(4) Å
	b = 6.5089(13) Å
	c = 9.6476(19) Å
	𝛽 = 94.823(2)^∘
Volume	1261.6(4) Å^3
Z	4
Density (calculated)	1.616 g.cm^−3
Absorption coefficient (𝜇)	1.570 mm^−1
F(000)	648
Crystal size	0.16 × 0.10 × 0.09 mm^3
𝜔 range for data collection	2.03 to 28.28^°
Index ranges	−26 ≤ h ≤ 6
	−8  ≤ k ≤  8
	−12  ≤ l ≤  12
Reflections collected	7100
Independent reflections	3070 [Rint= 0.0218]
Completeness to 𝜃 = 28.28^°	99.6%
Absorption correction	Numerical
Max. and min. transmission	0.8716 and 0.7873
Refinement method	Full-matrix least-squares on F^2
Data/restraints/parameters	3070/3/192
Goodness-of-fit on F^2	1.013
Final R indices [I>2𝜎(I)]	R1= 0.0232, wR2= 0.0528
Absolute structure parameter	0.018(13)
Largest diff. peak and hole	0.400 and −0.251 e^−⋅Å^−3