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Structural, Spectral, Biological and Electrochemical Studies Of Some ...

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Table 2.8.<br />

Crystal data <strong>and</strong>structure refinement for HL4A<br />

Identification code<br />

Empirical formula<br />

Formula weight<br />

Temperature<br />

Wavelength<br />

Crystal system, space group<br />

Unit cell dimensions<br />

Volume<br />

Z, Calculated density<br />

Absorption coefficient<br />

F(OOO)<br />

Crystal size<br />

Theta range for datacollection<br />

Limiting indices<br />

Reflections collected / unique<br />

Completeness to theta= 28.28<br />

Absorption correction<br />

Max. <strong>and</strong> min. transmission<br />

Refinement method<br />

Data / restraints / parameters<br />

Goodness-of-fit on F A2<br />

Final Rindices [I>2sigma(I)]<br />

Rindices (alldata)<br />

Largest diff. peak <strong>and</strong> hole<br />

HL4A<br />

Cl4 H2o N4 S<br />

276.40<br />

293(2) x<br />

0.71073 A<br />

Monoclinic, P21/c<br />

a = 11.6605(9) A alpha = 90 deg.<br />

b = 12.5348(10)A beta = 99.437(2) deg.<br />

c = 10.2563(8)A gamma = 90 deg.<br />

1478.8(2)AA3<br />

4, 1.241 Mg/m"3<br />

0.212 mrrr'-I<br />

592<br />

0.44xO.31 xO.16mm<br />

2.40 to 28.28 deg.<br />

-15

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