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.
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