Bioinorganic Chemistry and Applications / 2011 / Article / Tab 1

Research Article

Synthesis, Crystal Structure, and Spectra Properties of the Cadmium (II) Complex with Bis(N-allylbenzimidazol-2-ylmethyl)benzylamine

Table 1

Crystallographic data and data collection parameters for [Cd(babb)2](pic)2.


Molecular formulaC70H62CdN16O14
Molecular weight1463.76
Crystal systemTriclinic
Space groupP-1
a (Å)13.903 (4)
b (Å)14.146 (4)
c (Å)19.330 (5)
α (°)90.595 (3)
β (°)110.890 (3)
γ (°)106.325 (3)
V 3)3382.5 (16)
(mg m−3)1.437
Crystal size (mm)0.40 × 0.38 × 0.30
θ range for data collection (°)2.25 to 25.00
h/k/l (max, min)−16, 16/−15, 16/ −22, 22
Reflections collected20103
Independent reflections11730 [R(int) = 0.0253]
Completeness to theta = 25.0098.4%
Refinement methodFull-matrix least-
squares on
Goodness-of-fit on 1.008
Final R1, R2 indices [ ]0.0473, 0.1117
R1, wR2 indices (all data)0.0682, 0.1249
Largest differences peak and hole (e Å−3)0.986 and −0.537

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