Accuracy

Tc(V)N4O2(plus) (NIPRIN) r   4927 Tc(V)N4O2(+) (NIPRIN) (Geo)

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    #  Species Formula
  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
  4936 Tc(VII)O4(-) (AMOGIS)O4Tc
  4937 Pertechnetate anion (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(V)N4O2(+) (NIPRIN)
 <Tc-N> <><N-Tc-N> <Tc-O> GR=CCDC
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.16137900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.22286317 +1   90.0004140 +1    0.0000000 +0     1     2     0
  O     1.74781200 +1   92.5973885 +1  -92.2269579 +1     1     2     3
  C     2.50382027 +1   93.6759334 +1   21.6156360 +1     2     1     3
  C     1.50963182 +1  108.3448556 +1   32.2700235 +1     2     1     5
  N     2.22126284 +1   91.0711619 +1  -84.5230695 +1     1     2     4
  C     1.50433189 +1  108.3867214 +1 -129.1164172 +1     7     1     2
  C     1.53099078 +1  110.9202636 +1  -68.8711850 +1     8     7     1
  C     1.53072178 +1  113.4231907 +1   76.5872705 +1     9     8     7
  N     1.50481830 +1  110.9442799 +1  -76.2362748 +1    10     9     8
  H     1.03057035 +1  114.6085984 +1 -174.3615622 +1     3     1     2
  H     1.03791337 +1  111.2544501 +1 -118.7375483 +1     3     1    12
  H     2.14862539 +1   88.9683648 +1 -144.2963775 +1     3     1    13
  H     1.78986925 +1   65.9329578 +1  164.4298425 +1    14     3     1
  H     1.10911151 +1   87.5035421 +1 -107.6558602 +1     5     2     1
  H     1.11653021 +1  140.4283133 +1 -109.4406746 +1     5     2    16
  H     1.11282057 +1  110.3077335 +1  168.8561888 +1     6     2     1
  H     1.12818623 +1  108.6804055 +1 -115.8064001 +1     6     2    18
  H     1.04285865 +1  111.5686099 +1 -120.7174870 +1     2     1     6
  H     1.03466985 +1  114.7735684 +1 -118.3838193 +1     2     1    20
  H     1.04129334 +1  109.4558439 +1 -120.2280940 +1     7     1     8
  H     1.02998752 +1  115.1798191 +1 -117.8518875 +1     7     1    22
  H     1.11384908 +1  110.5419713 +1 -121.9273075 +1     8     7     9
  H     1.12377974 +1  108.7139371 +1 -115.7722068 +1     8     7    24
  H     1.10985356 +1  110.9957985 +1 -125.7545997 +1     9     8    10
  H     1.11581677 +1  108.3828694 +1 -113.8645947 +1     9     8    26
  H     1.12405204 +1  110.9936136 +1  120.8783739 +1    10     9    11
  H     1.11368211 +1  109.7637994 +1  116.7077256 +1    10     9    28
  H     1.03074156 +1  108.5826792 +1 -165.6476297 +1    11    10     9
  H     1.04204382 +1  110.1688953 +1  114.3262756 +1    11    10    30
  O     1.67051700 +1   88.3131738 +1  -94.9430151 +1     1     2     7
  C     1.12760924 +1   41.6320469 +1  -34.9603722 +1    14     3    15