Parameter

Value

Empirical formula

Formula weight

Crystal system

Space group

a/ Å

b/ Å

c/ Å

a/deg

b/deg

c/deg

Volume/ Å3

F(000)

Crystal size/ mm

Theta range for data collection/deg

Unit cell dimensions

Independent reflections

Data/restraints/parameters

Goodness-of-fit on F2

Final R indices [I>2sigma(I)]

R indices (all data)

Largest diff. peak and hole/ eÅ−3

C18 H24 N2 Ni O6

423.10

Monoclinic

P21

4.9155(4)

32.976(3)

6.0925(5)

90

106.619(2)

90

946.30(13)

444

0.502 x 0.181 x 0.075

3.490 to 27.647

−6 <= h <= 6, −40 <= k <= 43, −7 <= l <= 7

4297 [R(int) = 0.0540]

4297/1/254

1.050

R1 = 0.0448, wR2 = 0.0864

R1 = 0.0547, wR2 = 0.0897

0.560 and −0.609.