Accuracy

ga(iii)(edta) (edtaga01) r   3804 Ga(III)(EDTA) (EDTAGA01) (Geo)

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    #  Species Formula
  3794 Ga(OH)3H3O3Ga
  3795 Ga(OH)3 (Geo)H3O3Ga
  3796 Trimethoxy gallium (Geo)C3H9O3Ga
  3797 Trimethoxy galliumC3H9O3Ga
  3798 Ga(III)O6 (ACACGA) (Geo)C15H21O6Ga
  3799 Ga(III)O6 (ACACGA)C15H21O6Ga
  3800 Ga(III)(ortho-C6H4O2)3(3-)C18H12O6Ga
  3801 Ga(III)(ortho-C6H4O2)3(3-) (Geo)C18H12O6Ga
  3802 Gallium (III) EDTA (Geo)C10H12N2O8Ga
  3803 Gallium (III) EDTAC10H12N2O8Ga
  3804 Ga(III)(EDTA) (EDTAGA01) (Geo) C10H15N2O9Ga
  3805 Ga(III)(EDTA) (EDTAGA01)C10H15N2O9Ga
  3806 Ga(III)O6(3-) (COKFIR) (Geo)C6O12Ga
  3807 Ga(III)O6(3-) (COKFIR)C6O12Ga
  3808 Gallium fluoride (Geo)FGa
  3809 Gallium fluorideFGa
  3810 Ga(III)C2F2(-) (CUPQUZ) (Geo)C2H6F2Ga
  3811 Ga(III)C2F2(-) (CUPQUZ)C2H6F2Ga
  3812 [Ga(III)F2.(Me2N)](+)C2H6NF2Ga
  3813 [Ga(III)F2.(Me2N)](+) (Geo)C2H6NF2Ga
  3814 Gallium trifluoride (Geo)F3Ga


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Ga(III)(EDTA) (EDTAGA01)
 <Ga-O> <Ga-O><O-Ga-O> <Ga-N> GR=CCDC
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.93011100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.94597900 +1   94.9917440 +1    0.0000000 +0     1     2     0
  N     2.07557400 +1   81.2653524 +1 -161.9290468 +1     1     2     3
  O     3.57607693 +1   83.8056407 +1  107.7179333 +1     4     1     2
  O     1.90998458 +1   93.6675192 +1 -117.7401491 +1     1     2     4
  O     2.20978063 +1  147.0440129 +1  169.3679120 +1     6     1     2
  O     5.15501033 +1   83.5359529 +1 -172.7624247 +1     3     1     2
  O     2.23429493 +1   89.9444874 +1  -18.2654838 +1     8     3     1
  N     2.14794766 +1  159.7439112 +1   75.4614616 +1     1     2     6
  C     1.29633216 +1  117.9583847 +1 -178.2725251 +1     2     1     3
  C     1.49023804 +1  106.7692827 +1 -137.1990580 +1     4     1     5
  C     1.20698278 +1   20.8388625 +1  -20.1086039 +1     5     4     1
  C     1.49572976 +1  106.8887025 +1  118.1200686 +1     4     1    12
  C     1.49712940 +1  109.4029870 +1  120.2991289 +1     4     1    14
  C     1.50188357 +1  107.4529166 +1   54.1763026 +1    10     1     2
  C     1.20587562 +1   29.2174317 +1  -16.6858593 +1     7     6     1
  C     1.49139882 +1  108.5430127 +1 -120.0641407 +1    10     1    16
  C     1.20356149 +1   30.8018190 +1    6.8644988 +1     9     8     3
  C     1.49059466 +1  108.5701768 +1 -120.1198399 +1    10     1    18
  H     0.99406399 +1  172.8590988 +1  -61.1998101 +1     8     3     9
  H     0.99847257 +1  107.6100939 +1 -134.8650618 +1     3     1     8
  H     0.99300516 +1  109.7824062 +1 -113.7554138 +1     3     1    22
  H     1.11081225 +1  111.7539071 +1  -84.5136209 +1    12     4     1
  H     1.10701549 +1  113.3253672 +1 -120.6168854 +1    12     4    24
  H     1.11677235 +1  111.0583922 +1  -91.6997522 +1    14     4     1
  H     1.10767791 +1  113.0061935 +1 -119.1779852 +1    14     4    26
  H     1.11127754 +1  112.1283167 +1 -161.5198052 +1    15     4     1
  H     1.11447317 +1  109.4704658 +1 -117.6852952 +1    15     4    28
  H     1.11568147 +1  109.4719617 +1   83.9510649 +1    16    10     1
  H     1.11447222 +1  111.9278138 +1  116.8264518 +1    16    10    30
  H     1.11056269 +1  113.3062486 +1 -141.9879128 +1    18    10     1
  H     1.11107617 +1  112.0194638 +1 -118.5644126 +1    18    10    32
  H     1.13208668 +1  109.8608005 +1  -52.9529821 +1    20    10     1
  H     1.12303269 +1  109.3829674 +1  113.6152960 +1    20    10    34
  O     1.20493895 +1  124.8316014 +1  176.0358358 +1    11     2     1
  O     1.29892489 +1  123.5669036 +1  150.6174343 +1    13     5     4