Accuracy

Tc(III)N4O2(-) (BEWRIE) r   4925 Tc(III)N4O2(-) (BEWRIE) (Geo)

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    #  Species Formula
  4915 Tc(Cp)(C6H6)C11H11Tc
  4916 Tc(Cp)(C6H6) (Geo)C11H11Tc
  4917 Tc(Cp)2C (VIXRAV) (Geo)C15H19Tc
  4918 Tc(Cp)2C (VIXRAV)C15H19Tc
  4919 Tc(II)(NH3)6H18N6Tc
  4920 Tc(II)(NH3)6 (Geo)H18N6Tc
  4921 Tc(VII)N6(+) (WACSAU) (Geo)C18H18N6Tc
  4922 Tc(VII)N6(+) (WACSAU)C18H18N6Tc
  4923 Tc(V)N4O(-) (WACRUN) (Geo)C12H12N4OTc
  4924 Tc(V)N4O(-) (WACRUN)C12H12N4OTc
  4925 Tc(III)N4O2(-) (BEWRIE) (Geo) C4H16N4O2Tc
  4926 Tc(III)N4O2(-) (BEWRIE)C4H16N4O2Tc
  4927 Tc(V)N4O2(+) (NIPRIN) (Geo)C6H20N4O2Tc
  4928 Tc(V)N4O2(+) (NIPRIN)C6H20N4O2Tc
  4929 Methyl technetium(VII) trioxide (Geo)CH3O3Tc
  4930 Tc(Cp)(CO)3C8H5O3Tc
  4931 Tc(Cp)(CO)3 (Geo)C8H5O3Tc
  4932 Tc(Cp)(CO)3 (KITDAS) (Geo)C13H15O3Tc
  4933 Tc(Cp)(CO)3 (KITDAS)C13H15O3Tc
  4934 Pertechnetate anionO4Tc
  4935 Tc(VII)O4(-) (AMOGIS) (Geo)O4Tc


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 UHF PM7
Tc(III)N4O2(-) (BEWRIE)
 <Tc-N> <><N-Tc-N> <Tc=O><><> GR=CCDC
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.14560100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.00333516 +1   80.3645390 +1    0.0000000 +0     1     2     0
  O     1.75238400 +1   96.2629748 +1  -95.1727551 +1     1     2     3
  N     2.12482373 +1   90.4887084 +1  171.7424259 +1     1     4     2
  N     3.88264758 +1  130.5167819 +1   39.6456578 +1     1     2     4
  C     1.43785385 +1  108.0598283 +1  101.1636304 +1     2     1     3
  C     1.33817200 +1  122.7732876 +1 -118.9909025 +1     7     2     1
  C     1.46003876 +1  114.8108351 +1   92.4028390 +1     5     1     4
  C     1.45091800 +1   88.6549840 +1  179.3942837 +1     6     1     2
  H     1.03495085 +1  110.9918025 +1 -123.7528178 +1     2     1     7
  H     1.05153896 +1  103.7046755 +1 -116.4074766 +1     2     1    11
  H     1.09904639 +1  114.0568630 +1  177.5158526 +1     7     2     8
  H     3.70393607 +1   84.5982112 +1  -68.2296548 +1     7     2    13
  H     1.07340693 +1  122.9896008 +1  175.4232460 +1     8     7     2
  H     1.07439434 +1  124.3477794 +1 -176.8708643 +1     8     7    15
  H     1.00949992 +1  119.5856829 +1  146.6476255 +1     3     1     2
  H     1.00897079 +1  118.6712313 +1  130.8257456 +1     3     1    17
  H     1.03886490 +1  111.6369948 +1 -121.5744585 +1     5     1     9
  H     1.03797121 +1  109.4295027 +1 -115.5929381 +1     5     1    19
  H     1.05983549 +1  118.7459322 +1   10.7964323 +1     9     5     1
  H     1.06355068 +1  117.4083114 +1  147.9026385 +1     9     5    21
  H     1.06746897 +1  113.9593716 +1   81.6398055 +1    10     6     1
  H     1.06627505 +1  118.7617257 +1  142.5237944 +1    10     6    23
  H     1.01369249 +1   50.3918069 +1 -116.6237135 +1     6     1    10
  H     1.00564365 +1  155.2507503 +1  -29.1676281 +1     6     1    25
  O     1.74141485 +1   79.2675682 +1 -172.0150543 +1     1     2     6