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Bioinorganic Chemistry and Applications
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Bioinorganic Chemistry and Applications
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2011
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Article
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Tab 3
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Research Article
Synthesis, Characterization, Theoretical Crystal Structure, and Antibacterial Activities of Some Transition Metal Complexes of the Thiosemicarbazone (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide
Table 3
Bond lengths of the ligand.
Bond
Actual
Optimal
Bond
Actual
Optimal
Bond
Actual
Optimal
N(2)–H(11)
1.0117
1.0120
C(8)
–
H(15)
1.1188
1.1130
N(5)
–
H(13)
0.9906
1.0120
H(20)–C(10)
1.1242
1.1130
C(9)
–
C(8)
1.5256
1.5230
H(12)
–
N(5)
0.9929
1.0120
C(10)–H(19)
1.1246
1.1130
C(7)
–
N(1)
1.3204
1.2600
C(3)
–
N(5)
1.3652
1.3690
H(18)–C(9)
1.1167
1.1130
C(7)
–
C(8)
1.5251
1.4970
C(3)
–
S(4)
1.6285
1.5760
C(9)–H(17)
1.1169
1.1130
H(14)
–
N(6)
0.9976
1.0500
N(2)
–
C(3)
1.4145
1.3690
C(10)–C(9)
1.5399
1.5230
C(10)
–
N(6)
1.4571
1.4700
N(1)
–
N(2)
1.3414
C(8)–H(16)
1.1188
1.1130
C(7)
–
N(6)
1.4224
1.4620