Accuracy

in(iii)s2n2cl (tupbah) r   5451 In(III)S2N2Cl (TUPBAH) (Geo)

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    #  Species Formula
  5441 In(III)F6(3-) (LORCIE)F6In
  5442 In(III)C3P (FOBFAE) (Geo)C6H18PIn
  5443 Indium(II) sulfideSIn
  5444 InF2(CH3S)CH3F2SIn
  5445 InF2(CH3S) (Geo)CH3F2SIn
  5446 InF2(Me2S)(+)C2H6F2SIn
  5447 InF2(Me2S)(+) (Geo)C2H6F2SIn
  5448 Indium chloride, cationClIn
  5449 Indium chloride (Geo)ClIn
  5450 Indium chlorideClIn
  5451 In(III)S2N2Cl (TUPBAH) (Geo) C10H22N2S2ClIn
  5452 In(III)S2N2Cl (TUPBAH)C10H22N2S2ClIn
  5453 In(III)C2Cl2(-) (AQIFEL) (Geo)C2H6Cl2In
  5454 In(III)C2Cl2(-) (AQIFEL)C2H6Cl2In
  5455 In(III)Cl2O2N2 (CAKCAS) (Geo)C17H15N2O2Cl2In
  5456 In(III)Cl2O2N2 (CAKCAS)C17H15N2O2Cl2In
  5457 Indium trichloride (Geo)Cl3In
  5458 Indium trichlorideCl3In
  5459 In(III)O2Cl3 (VUKKOB) (Geo)H4O2Cl3In
  5460 In(III)Cl6(3-) (FUVCAA) (Geo)Cl6In
  5461 In(III)Cl6(3-) (FUVCAA)Cl6In


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
In(III)S2N2Cl (TUPBAH)
 <In-S> <><S-In-S> <In-N><><> <><><> <><><> <In-Cl> GR=CCDC
 In     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.44803500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.48068021 +1  105.4646530 +1    0.0000000 +0     1     2     0
  N     2.32641700 +1   81.7800199 +1 -129.3952307 +1     1     2     3
  C     2.79427411 +1   97.1586699 +1  169.8237964 +1     2     1     3
  C     2.50141690 +1   62.0153426 +1 -133.1211534 +1     5     2     1
 Cl     2.40110700 +1  115.9075875 +1  -91.8220560 +1     1     2     4
  C     1.86673977 +1  102.1609151 +1 -157.8394710 +1     3     1     2
  C     1.54982628 +1  110.5601334 +1   34.9328264 +1     8     3     1
  N     1.49542420 +1  110.8040091 +1  -57.2224118 +1     9     8     3
  C     1.49238720 +1  111.6835063 +1  173.8503508 +1    10     9     8
  C     1.52550303 +1  110.0336823 +1 -123.1232920 +1     8     3     9
  C     1.52844078 +1  107.0179804 +1 -119.4922092 +1     8     3    12
  C     1.54578925 +1  109.7009674 +1  -88.8412646 +1    11    10     9
  H     2.14735041 +1  101.8246305 +1   46.8182118 +1     4     1     2
  H     1.78223871 +1   65.8373727 +1 -149.2891013 +1    15     4     1
  H     1.09515027 +1  150.5420286 +1   39.3685077 +1     5     2     6
  H     1.10157051 +1   90.9284390 +1 -128.1287303 +1     5     2    17
  H     1.09770789 +1   89.3725358 +1 -105.3064096 +1     5     2    18
  H     1.09809555 +1  147.6040018 +1   37.1471241 +1     6     5     2
  H     1.09560312 +1   91.9524914 +1  128.3168017 +1     6     5    20
  H     1.10069284 +1   91.7780393 +1  106.7308139 +1     6     5    21
  H     1.11236965 +1  109.9387916 +1  121.1428006 +1     9     8    10
  H     1.11139230 +1  109.2921298 +1  116.3818673 +1     9     8    23
  H     1.11042031 +1  112.5175828 +1  122.2916234 +1    11    10    14
  H     1.11593021 +1  108.5875314 +1  117.4760837 +1    11    10    25
  H     1.09541063 +1  111.7094625 +1  179.8902101 +1    12     8     3
  H     1.09757038 +1  113.5090204 +1 -121.9715085 +1    12     8    27
  H     1.10139363 +1  111.1879841 +1 -118.8798580 +1    12     8    28
  H     1.09757240 +1  112.6286120 +1  -59.6821681 +1    13     8     3
  H     1.10055861 +1  111.5388908 +1  119.5571694 +1    13     8    30
  H     1.09573774 +1  111.6294977 +1  119.2376506 +1    13     8    31
  H     1.11023724 +1  109.8707814 +1 -179.0004181 +1    14    11    10
  H     1.11400362 +1  110.3761616 +1 -117.3815584 +1    14    11    33
  H     1.04012900 +1  105.7866766 +1 -146.6214024 +1     4     1    15
  H     1.03917014 +1  108.6209664 +1  120.0129508 +1    10     9    11
  C     1.52771334 +1   34.9481243 +1  126.5946268 +1     6     5    22
  C     1.11441880 +1   41.2530613 +1   34.7964757 +1    15     4    16