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. 2004 Nov 30;9(11):949–956. doi: 10.3390/91100949

Table 1.

Crystallographic and experimental data for complexes 1 and 2

Complexes 1 2
Formula C11H18NiO5 C10CoH18O9
FW 288.96 355.18
Crystal shape/color Yellow brown-red
Crystal size/ mm 0.30 x 0.24 x 0.20 mm 0.42 x 0.37 x 0.31 mm
T/K 293K 298 K
Crystal system Monoclinic Triclinic
Space group P2(1) P(-1)
a 9.254(4) 8.153(9)
b 11.450(5) 9.925(11)
c/Å 12.974(6) 10.355(12)
α/o 90.00 70.530(16)
β/o 92.854(7) 71.154(15)
γ/o 90.00 80.698(16)
U3 1379.1(11) 746.3(15)
μ/mm-1(Mo-Kα) 1.413 1.192
Dx/g cm-3 1.392 1.581
Reflections/parameters 2434/173 2546/204
Independent reflections (Rint) 1203
(0.0478)
2024
(0.0163)
F(000) 608 368
Goodness of fit on F2 0.957 0.984
R1, wR2 [I ≥ 2σ(I)]a) 0.0554, 0.1469 0.0520, 0.1384
R1, wR2 (all data)a) 0.1135, 0.1670 0.0645, 0.1480

R1 = ∑||Fo|-|Fc||/∑|Fo|, wR2 = [∑w(Fo2-Fc2)2/∑w(Fo2)2]1/2,

w = [σ2(Fo)2+(0.0838((Fo)2+2Fc2)/3)2]+0.0242((Fo)2+2Fc2)/3]-1 for 1

w = [σ2(Fo)2+(0.099((Fo)2+2Fc2)/3)2]-1 for 2