Accuracy

Tc(IV)Cl4P2 (LALGUA) r   4990 Tc(IV)Cl4P2 (LALGUA) (Geo)

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    #  Species Formula
  4980 Tc(II)N4Cl2 (ZOPWAC) (Geo)C20H20N4Cl2Tc
  4981 Tc(II)N4Cl2 (ZOPWAC)C20H20N4Cl2Tc
  4982 Tc(III)P4Cl2(+) (BAJDOF10) (Geo)C12H32P4Cl2Tc
  4983 Technetium(III) trichloride (Geo)Cl3Tc
  4984 Technetium(III) trichlorideCl3Tc
  4985 Tc(III)N3Cl3 (JEVMAY) (Geo)C18H21N3Cl3Tc
  4986 Tc(III)N3Cl3 (JEVMAY)C18H21N3Cl3Tc
  4987 Technetium(II) tetrachloride 6A1Cl4Tc
  4988 Tc(V)Cl4O(-) (VAVVAP01) (Geo)OCl4Tc
  4989 Tc(V)Cl4O(-) (VAVVAP01)OCl4Tc
  4990 Tc(IV)Cl4P2 (LALGUA) (Geo) C6H18P2Cl4Tc
  4991 Tc(IV)S2Cl4 (WAJFOD) (Geo)C8H16S2Cl4Tc
  4992 Tc(IV)S2Cl4 (WAJFOD)C8H16S2Cl4Tc
  4993 Tc(IV)Cl6(2-) (CIMFEJ) (Geo)Cl6Tc
  4994 Tc(IV)Cl6(2-) (CIMFEJ)Cl6Tc
  4995 Technetium(I) bromide (Geo)BrTc
  4996 Technetium(I) bromideBrTc
  4997 Technetium(III) oxide bromide (Geo)OBrTc
  4998 Technetium(III) oxide bromideOBrTc
  4999 Tc(CO)5BrC5O5BrTc
  5000 Tc(CO)5Br (Geo)C5O5BrTc


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF SYMMETRY PM7
Tc(IV)Cl4P2 (LALGUA)
 <Tc-Cl> <><Cl-Tc-Cl> <Tc-P> GR=CCDC
 
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.31953700 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.37725926 +1   89.8237780 +1    0.0000000 +0     1     2     0
  P     2.52373300 +1   90.5980819 +1  -88.4582328 +1     1     2     3
  C     1.80726493 +1  108.0818317 +1   28.2030842 +1     4     1     2
  C     1.80469539 +1  109.3300392 +1 -120.6031194 +1     4     1     5
  C     1.80637003 +1  107.9443080 +1 -120.4748446 +1     4     1     6
  H     1.12800789 +1  112.7034102 +1  -62.2010342 +1     5     4     1
  H     1.11539266 +1  114.2618723 +1 -121.3756497 +1     5     4     8
  H     1.12943195 +1  112.1676353 +1 -121.1223283 +1     5     4     9
  H     1.12874025 +1  112.5073628 +1   58.6612349 +1     6     4     1
  H     1.12930398 +1  112.3181152 +1 -117.1893693 +1     6     4    11
  H     1.11562197 +1  114.2868830 +1 -121.3351334 +1     6     4    12
  H     1.12956968 +1  112.2472263 +1  -55.7589118 +1     7     4     1
  H     1.11534843 +1  114.2787595 +1 -121.1788988 +1     7     4    14
  H     1.12893183 +1  112.6867123 +1 -121.3660592 +1     7     4    15
 Cl     2.37888776 +1   89.4480723 +1 -179.6658010 +1     1     4     2
 Cl     2.37663891 +1   90.0459695 +1  -97.0388609 +1     1     2     8
  P     2.52373300 +0   90.7462996 +1  -88.4204030 +1     1     2    18
  C     1.80605003 +1  108.1251862 +1  148.9001803 +1    19     1     2
  C     1.80431475 +1  109.3278080 +1  120.6858460 +1    19     1    20
  C     1.80745450 +1  107.7683704 +1  120.4593515 +1    19     1    21
  H     1.12869005 +1  112.7019066 +1   62.4856325 +1    20    19     1
  H     1.11476437 +1  114.3236822 +1  121.3508111 +1    20    19    23
  H     1.12925101 +1  112.3077618 +1  121.2689616 +1    20    19    24
  H     1.12912342 +1  112.3392694 +1  -59.3068187 +1    21    19     1
  H     1.12879951 +1  112.5499178 +1  117.3276030 +1    21    19    26
  H     1.11590813 +1  114.2101549 +1  121.3985652 +1    21    19    27
  H     1.12939875 +1  112.1457380 +1   55.9778328 +1    22    19     1
  H     1.11519421 +1  114.2819658 +1  121.0133619 +1    22    19    29
  H     1.12812068 +1  112.7206772 +1  121.3707561 +1    22    19    30
 
   4  1   19