Accuracy

Tc(V)N4O(-) (WACRUN) r   4923 Tc(V)N4O(-) (WACRUN) (Geo)

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    #  Species Formula
  4913 Technetium, 8P(u) stateTc
  4914 Technetium, atomTc
  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


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 RELSCF=10 PULAY PM7
Tc(V)N4O(-) (WACRUN)
 <Tc-O> <Tc-N> <O-Tc-N> GR=CCDC
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.66788100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.98727400 +1  109.2585290 +1    0.0000000 +0     1     2     0
  N     1.98390401 +1  102.1316660 +1  -86.2027911 +1     1     2     3
  N     1.99658324 +1   98.9568642 +1  178.8360499 +1     1     2     4
  N     1.93329116 +1  123.6369462 +1   86.8470113 +1     1     2     5
  C     1.38347719 +1  113.5366371 +1  -92.7924862 +1     3     1     2
  C     1.38708666 +1  125.7340433 +1  175.5744970 +1     7     3     1
  C     1.40702915 +1  119.8986867 +1  179.9630468 +1     8     7     3
  C     1.38079497 +1  120.6048162 +1    0.2815926 +1     9     8     7
  C     1.40666707 +1  120.6839553 +1   -0.3957353 +1    10     9     8
  C     1.38455510 +1  113.2345481 +1   99.3384087 +1     4     1     2
  C     1.37624474 +1  113.2461548 +1  114.4485091 +1     5     1     2
  C     1.39131902 +1  126.5852421 +1 -173.3576668 +1    13     5     1
  C     1.40429858 +1  119.8397897 +1 -176.4544110 +1    14    13     5
  C     1.38183384 +1  120.9234520 +1   -0.1564241 +1    15    14    13
  C     1.40806252 +1  120.4855713 +1   -0.5298415 +1    16    15    14
  C     1.45113103 +1  114.3397190 +1 -177.6754513 +1    13     5    14
  H     1.00816844 +1  129.0879439 +1  172.4143347 +1     3     1     7
  H     1.01127795 +1  127.7778028 +1 -157.6470711 +1     4     1    12
  H     1.01068356 +1  127.3649326 +1 -159.5839758 +1     5     1    13
  H     1.01390610 +1  129.2936399 +1   91.6242274 +1     6     1     2
  H     1.08081318 +1  120.4784514 +1  179.6570321 +1     8     7     9
  H     1.08311775 +1  118.9896946 +1  179.7631347 +1     9     8    10
  H     1.08335929 +1  120.3566642 +1 -179.9855396 +1    10     9    11
  H     1.08067232 +1  119.5886914 +1  179.8819655 +1    11    10     9
  H     1.08029794 +1  120.3470111 +1  179.7996762 +1    14    13    15
  H     1.08435181 +1  118.9219572 +1  179.9672210 +1    15    14    16
  H     1.08230316 +1  120.4605779 +1 -179.7660031 +1    16    15    17
  H     1.08155684 +1  119.5499288 +1 -179.5342242 +1    17    16    15