Accuracy

Lu(III)N5I2(plus) (ESECOU) r   7197 Lu(III)N5I2(+) (ESECOU) (Geo)

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    #  Species Formula
  7187 Lu(Cp)2O2Cl (AXOMUV) (Geo)C28H30O2ClLu
  7188 Lu(Cp)2O2Cl (AXOMUV)C28H30O2ClLu
  7189 Lu(Cp)2Cl2(-) (BISVEE) (Geo)C21H18Cl2Lu
  7190 Lu(III)O4Cl3 (EWIQIK) (Geo)C8H20O4Cl3Lu
  7191 Lu(III)O4Cl3 (EWIQIK)C8H20O4Cl3Lu
  7192 Lu(III)Cl5O(2-) (UNETAI) (Geo)H2OCl5Lu
  7193 Lu(III)(Cp)2BrN2 (HAFWIU) (Geo)C24H28N2BrLu
  7194 Lu(III)(Cp)2BrN2 (HAFWIU)C24H28N2BrLu
  7195 Lu(III)N5OI(+) (ESECIO) (Geo)C28H32N5OILu
  7196 Lu(III)N5OI(+) (ESECIO)C28H32N5OILu
  7197 Lu(III)N5I2(+) (ESECOU) (Geo) C25H25N5I2Lu
  7198 Lu(III)O4I2(+) (ESECEK) (Geo)C12H32O4I2Lu
  7199 Lu(III)O4I2(+) (ESECEK)C12H32O4I2Lu
  7200 Lutetium complex, CCDC: BORQEE (Geo)C48H42N8O6Lu2
  7201 Lutetium complex, CCDC: XECRIG (Geo)C30H36N6O8Lu2
  7202 Lutetium complex, CCDC: XEWRAS (Geo)C36H34N4O12Lu2
  7203 Lutetium complex, CCDC: QQQENA01 (Geo)C12H26O16Lu2
  7204 Lutetium complex, CCDC: XEWYIH (Geo)C12H12O18F18Lu2
  7205 Hafnium, cationHf
  7206 Hafnium, atomHf
  7207 Dicyclopentadienyl hafnium, dicationC10H10Hf


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PULAY CHARGE=1 PM7
Lu(III)N5I2(+) (ESECOU)
 <Lu-I> <Lu-N> <N-Lu-I> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.95279000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.50601400 +1   88.0776490 +1    0.0000000 +0     1     2     0
  C     1.42813265 +1  125.8378674 +1   78.0867661 +1     3     1     2
  C     1.35008881 +1  126.9129895 +1  106.9248747 +1     4     3     1
  C     1.43487100 +1  127.1479594 +1    4.0085832 +1     5     4     3
  C     1.36384787 +1  122.4418670 +1  179.1597811 +1     6     5     4
  C     1.34968374 +1  129.3148286 +1    8.3368040 +1     7     6     5
  N     2.41540962 +1  158.4610587 +1   18.5694881 +1     1     2     3
  C     1.35602466 +1  110.2118990 +1   62.9645903 +1     9     1     2
  C     1.40167850 +1  122.9405505 +1  125.6607671 +1    10     9     1
  C     1.39116496 +1  118.9499708 +1    1.6990170 +1    11    10     9
  C     1.39553313 +1  118.8588144 +1    0.4253707 +1    12    11    10
  C     1.36351423 +1  110.7832851 +1  131.6485404 +1     9     1    10
  N     2.24494330 +1   72.4733939 +1   76.5248565 +1     1     2     9
  C     1.36865643 +1  119.8934651 +1   74.8284632 +1    15     1     2
  C     1.39864529 +1  122.5014023 +1  153.4185168 +1    16    15     1
  C     1.39251877 +1  119.3180041 +1    0.0375727 +1    17    16    15
  C     1.39168383 +1  118.7027247 +1    3.2640213 +1    18    17    16
  C     1.40001127 +1  119.1804255 +1   -2.2600831 +1    19    18    17
  N     2.21085266 +1   84.3826101 +1  122.5750827 +1     1     2    15
  C     1.36758005 +1  112.8939862 +1  -61.6160500 +1    21     1     2
  C     1.39817617 +1  122.6814355 +1 -121.3110840 +1    22    21     1
  C     1.39373488 +1  119.3242654 +1   -0.5283556 +1    23    22    21
  C     1.39308858 +1  118.6942348 +1   -2.9317249 +1    24    23    22
  C     1.39917335 +1  119.3233252 +1    2.2765624 +1    25    24    23
  N     2.73223713 +1  109.6524982 +1   73.9249889 +1     1     2    21
  C     1.41633016 +1   76.3803374 +1   -5.4508369 +1    27     1     2
  C     1.35457211 +1  122.7712193 +1   80.4433194 +1    28    27     1
  C     1.46749123 +1  120.3443640 +1   -8.0951720 +1    29    28    27
  C     1.53801606 +1  116.2781951 +1   12.9641856 +1    30    29    28
  C     1.48742413 +1  114.7216178 +1   -5.8955748 +1    31    30    29
  H     1.10197762 +1  111.1348289 +1 -175.6193065 +1     4     3     5
  H     1.10262349 +1  116.8316306 +1 -179.8847788 +1     5     4     6
  H     1.08494863 +1  118.3057554 +1  178.4309964 +1     6     5     7
  H     1.12177294 +1  117.9230517 +1  170.7633667 +1     7     6     8
  H     1.05043113 +1  141.1635791 +1  -97.1816846 +1     8     7     6
  H     1.10115678 +1  116.6547069 +1  175.1279495 +1    10     9    11
  H     1.09211770 +1  119.7194627 +1  179.3632315 +1    11    10    12
  H     1.09609261 +1  120.6749259 +1  179.8620108 +1    12    11    13
  H     1.09293397 +1  120.9701528 +1  178.7125975 +1    13    12    11
  H     1.10072364 +1  116.9427892 +1   56.1815671 +1    14     9     1
  H     1.10174776 +1  118.0119394 +1  179.7063407 +1    16    15    17
  H     1.09536127 +1  119.4217770 +1 -179.1241934 +1    17    16    18
  H     1.09629051 +1  120.5694247 +1  179.0083522 +1    18    17    19
  H     1.09273795 +1  121.2699134 +1  179.3499763 +1    19    18    20
  H     1.09987120 +1  119.7250017 +1  175.3148251 +1    20    19    18
  H     1.10392965 +1  117.4622077 +1 -173.9593714 +1    22    21    23
  H     1.09554728 +1  119.7166412 +1 -179.5869898 +1    23    22    24
  H     1.09755449 +1  120.6384053 +1 -179.0116332 +1    24    23    25
  H     1.09391459 +1  120.9877571 +1 -178.7830207 +1    25    24    26
  H     1.10964524 +1  119.5389051 +1 -171.4586641 +1    26    25    24
  H     1.10939743 +1  112.9210357 +1  171.5712957 +1    28    27    29
  H     1.09894028 +1  122.1168808 +1  175.8230240 +1    29    28    30
  H     1.10885665 +1  115.6349485 +1  148.2697145 +1    30    29    31
  H     1.10430726 +1  120.9449813 +1  149.1168926 +1    31    30    32
  H     1.10693749 +1  117.9924622 +1  170.9994768 +1    32    31    30
  I     3.34909534 +1  120.4711615 +1  146.9623131 +1     1    27     2