Accuracy
in(iii)c2cl2(-) (aqifel) r
5453 In(III)C2Cl2(-) (AQIFEL) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
CHARGE=-1 PM7
In(III)C2Cl2(-) (AQIFEL)
<In-Cl> <><Cl-In-Cl> <In-C><C-In-Cl> GR=CCDC
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.50815500 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.45316323 +1 98.2240390 +1 0.0000000 +0 1 2 0
C 2.13616800 +1 103.3402850 +1 -115.8371368 +1 1 2 3
H 1.08450634 +1 111.7863276 +1 -162.6821378 +1 4 1 2
H 1.08748981 +1 109.8272696 +1 -120.8718492 +1 4 1 5
H 1.08779970 +1 108.8241285 +1 -118.5905425 +1 4 1 6
C 2.17932082 +1 113.6322181 +1 -125.6061541 +1 1 2 4
H 1.08413152 +1 109.4975487 +1 64.2249204 +1 8 1 2
H 1.08511832 +1 109.3716212 +1 -119.6185503 +1 8 1 9
H 1.08343866 +1 109.9829095 +1 -119.9823613 +1 8 1 10