Accuracy

Tc(III)P4Cl2(plus) (BAJDOF10) r   4982 Tc(III)P4Cl2(+) (BAJDOF10) (Geo)

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    #  Species Formula
  4972 Tc(V)N2O3Cl (DAGSOT) (Geo)C17H16N2O3ClTc
  4973 Tc(V)N2O3Cl (DAGSOT)C17H16N2O3ClTc
  4974 Tc(CO)5ClC5O5ClTc
  4975 Tc(CO)5Cl (Geo)C5O5ClTc
  4976 Tc(V)S3OCl (AMOMOE) (Geo)C4H8OS3ClTc
  4977 Tc(V)S3OCl (AMOMOE)C4H8OS3ClTc
  4978 Tc(III)N4Cl2(+) (YOMRUN) (Geo)C8H12N4Cl2Tc
  4979 Tc(III)N4Cl2(+) (YOMRUN)C8H12N4Cl2Tc
  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


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 SYMMETRY PM7
Tc(III)P4Cl2(+) (BAJDOF10)
 <Tc-P> <><P-Tc-P> <Tc-Cl> GR=CCDC
 
 Tc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     2.43128900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.43128900 +0   86.0676403 +1    0.0000000 +0     1     2     0
 Cl     2.32573400 +1   90.0953540 +0   90.1931820 +0     1     2     3
  P     2.43128900 +0   91.3940140 +1  178.5159795 +1     1     4     2
  P     2.43128900 +0   91.6405973 +1 -178.2878955 +1     1     2     3
  C     1.87922454 +1  105.4973771 +1   -9.6479990 +1     2     1     3
  C     1.55571471 +1  112.0851466 +1   35.6192434 +1     7     2     1
  C     1.86278390 +1  116.9120665 +1   77.5344824 +1     5     1     4
  C     1.47524786 +1  119.4412364 +1  -61.8073654 +1     9     5     1
  C     1.79950122 +1  114.5600275 +1 -116.8698090 +1     2     1     7
  C     1.80332400 +1  112.2381107 +1 -128.5514533 +1     2     1    11
  C     1.80501002 +1  111.4491304 +1  102.9943026 +1     3     1     2
  C     1.80337145 +1  115.6734645 +1  128.1008792 +1     3     1    13
  C     1.82940524 +1  112.2530765 +1 -120.0303781 +1     5     1     9
  C     1.82144836 +1  109.8531140 +1 -123.1898064 +1     5     1    15
  C     1.86989642 +1  115.1528779 +1   42.1530204 +1     6     1     2
  C     1.87231471 +1  107.7451127 +1 -120.9034536 +1     6     1    17
  H     1.13226763 +1  110.4146943 +1 -124.0727655 +1     7     2     8
  H     1.12769999 +1  111.0744212 +1 -114.2113492 +1     7     2    19
  H     1.12830825 +1  108.5223571 +1 -172.8976199 +1     8     7     2
  H     1.13484747 +1  110.4575003 +1 -112.8095523 +1     8     7    21
  H     1.14428066 +1  107.5402744 +1 -121.0024544 +1     9     5    10
  H     1.14165617 +1  110.3699534 +1 -111.0957258 +1     9     5    23
  H     1.06944442 +1  125.3004611 +1  -21.6900785 +1    10     9     5
  H     1.07267262 +1  118.5960497 +1 -178.9599483 +1    10     9    25
  H     1.13094549 +1  113.0039917 +1   45.0381512 +1    11     2     1
  H     1.12383836 +1  114.1452503 +1 -120.6231632 +1    11     2    27
  H     1.12381934 +1  112.9083151 +1 -119.4293331 +1    11     2    28
  H     1.12213204 +1  113.0011388 +1 -175.0596268 +1    12     2     1
  H     1.12326085 +1  114.6947569 +1 -120.8593242 +1    12     2    30
  H     1.12984374 +1  112.9201233 +1 -118.6694682 +1    12     2    31
  H     1.13110912 +1  112.5967524 +1  -56.8318027 +1    13     3     1
  H     1.12174505 +1  114.6269406 +1  118.1764946 +1    13     3    33
  H     1.12035798 +1  113.3975245 +1  121.7130486 +1    13     3    34
  H     1.12377539 +1  112.5399795 +1  165.4617481 +1    14     3     1
  H     1.11990722 +1  114.6116152 +1  119.3056294 +1    14     3    36
  H     1.13101339 +1  112.6812935 +1  121.8996588 +1    14     3    37
  H     1.11236447 +1  115.5431435 +1  -73.4766848 +1    15     5     1
  H     1.12809435 +1  111.7662290 +1  123.5196835 +1    15     5    39
  H     1.12339387 +1  111.7988130 +1  116.9878476 +1    15     5    40
  H     1.11582230 +1  115.7384404 +1   55.7525030 +1    16     5     1
  H     1.11977346 +1  112.8808651 +1  122.5540211 +1    16     5    42
  H     1.13347025 +1  111.4963440 +1  118.7859636 +1    16     5    43
  H     1.10750638 +1  117.2684094 +1  -75.8622003 +1    17     6     1
  H     1.12577798 +1  109.1025314 +1 -118.8354954 +1    17     6    45
  H     1.12224099 +1  111.2782992 +1 -114.7872964 +1    17     6    46
  H     1.12462638 +1  110.9478511 +1  -63.0191101 +1    18     6     1
  H     1.11986628 +1  110.9926503 +1 -116.7544084 +1    18     6    48
  H     1.10875009 +1  116.7762940 +1 -122.1303933 +1    18     6    49
 Cl     2.32573400 +0   89.8190540 +0   90.3256860 +0     1     2     6
 
   2  1    3    5    6
   4  1   51