Accuracy

Tb_(NAXRAF) r   6904 Terbium complex, CCDC: NAXRAF (Geo)

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    #  Species Formula
  6894 Gadolinium complex, CCDC: YEWGEM (Geo)C54H98O14Gd2
  6895 Gadolinium complex, CCDC: NIGXAC (Geo)C42H34N8O14Gd2
  6896 Gadolinium complex, CCDC: ACAQGD (Geo)C12H26O16Gd2
  6897 Gadolinium complex, CCDC: PROPGD (Geo)C18H38O16Gd2
  6898 Gadolinium complex, CCDC: LASZIO (Geo)C32H52N10O18Gd2
  6899 Gadolinium complex, CCDC: YAVSUJ (Geo)C10H14N8O22Gd2
  6900 Gadolinium complex, CCDC: COSTAF (Geo)C64H56N6O26Gd2
  6901 Gadolinium complex, CCDC: SERYOD (Geo)C12H12O18F18Gd2
  6902 Terbium complex, CCDC: XEXJIT (Geo)C27H27N4O3Tb
  6903 Terbium complex, CCDC: QAWHIF (Geo)C24H24B2N13O3Tb
  6904 Terbium complex, CCDC: NAXRAF (Geo) C32H28B2N13O3Tb
  6905 Terbium complex, CCDC: MIWTAN (Geo)C26H32N6O4Tb
  6906 Terbium complex, CCDC: DIFHEF (Geo)H41BC54N9O4Tb
  6907 Terbium complex, CCDC: XAXXUP (Geo)C40H67N2O6Tb
  6908 Terbium complex, CCDC: NASTUW (Geo)C26H28N8O6Tb
  6909 Terbium complex, CCDC: LIFJEP (Geo)C38H26N12O6Tb
  6910 Terbium complex, CCDC: VAPTEL (Geo)C66H72N12O6Tb
  6911 Terbium complex, CCDC: VAPTEL01 (Geo)C66H72N12O6Tb
  6912 Terbium complex, CCDC: XARXET (Geo)C15H16N3O8Tb
  6913 Terbium complex, CCDC: CULSEH (Geo)C18H28N4O8Tb
  6914 Terbium complex, CCDC: XAWTUK (Geo)C15H15N5O8Tb


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES
Terbium complex, CCDC: NAXRAF
 <Tb-O2> <Tb-N3> <> <Tb-N4> <> <> <> <> <> <Tb-N6> <> <> <Tb-N7> <> <> <Tb-N8> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.49305997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.51278584 +1  140.7803103 +1    0.0000000 +0     1     2     0
  N     2.52113020 +1   93.7659270 +1 -175.5360114 +1     1     2     3
  O     2.14646344 +1  102.3538829 +1   -0.1921761 +1     2     1     3
  N     2.60344668 +1   87.7658550 +1   66.4108879 +1     1     2     3
  N     2.62104722 +1   81.8667368 +1 -102.8790093 +1     1     2     3
  N     2.62420006 +1  134.2628388 +1  128.7384581 +1     1     2     3
  N     3.25180421 +1  146.0909778 +1 -110.0546671 +1     1     2     3
  N     2.90555807 +1   76.7642442 +1  108.2423331 +1     7     1     2
  N     2.91618403 +1   75.7190728 +1   66.7746912 +1     6     1     2
  N     1.29826129 +1  133.3881832 +1   -2.2917035 +1     2     1     3
  O     1.21072351 +1  118.8970491 +1 -175.9834752 +1    12     2     1
  B     2.55360711 +1   93.9856208 +1   37.3851791 +1     3     1     2
  C     1.35433197 +1   60.4813811 +1  170.5588363 +1    11     6     1
  C     1.40459140 +1  121.1976432 +1 -179.7610969 +1    15    11     6
  C     1.39425047 +1  119.0013045 +1   -0.8929533 +1    16    15    11
  C     1.39167053 +1  119.6155133 +1   -0.5518815 +1    17    16    15
  C     1.34093986 +1  178.4475791 +1 -105.4486772 +1    11     6     1
  C     1.39265633 +1  130.7222993 +1   75.2231781 +1     6     1     2
  C     1.41103486 +1  109.4029688 +1  171.7191076 +1    20     6     1
  C     1.40737134 +1  105.2865786 +1    0.6656715 +1    21    20     6
  N     1.36673585 +1  124.5134321 +1   40.9098816 +1     3     1     2
  C     1.35406113 +1  109.1849290 +1  135.7471547 +1     9     1     2
  C     1.40242038 +1  121.4882192 +1 -174.9974429 +1    24     9     1
  C     1.39400775 +1  118.6356607 +1    0.8744289 +1    25    24     9
  C     1.39201627 +1  119.6910491 +1   -0.1636963 +1    26    25    24
  C     1.34283004 +1  130.8744700 +1  -37.5081353 +1     9     1     2
  C     1.39852938 +1  129.4436081 +1 -146.4801348 +1     3     1     2
  C     1.40690198 +1  109.7184486 +1 -172.2468752 +1    29     3     1
  C     1.35803917 +1  111.1105408 +1  172.5669771 +1    23     3     1
  N     1.35123802 +1  130.2959263 +1   45.7366215 +1     4     1     2
  B     1.53883848 +1  117.3077606 +1   -0.8348148 +1    32     4     1
  C     1.37404728 +1  120.4743642 +1   69.1055542 +1     8     1     2
  C     1.39837451 +1  123.0174865 +1  179.3662236 +1    34     8     1
  C     1.39203588 +1  119.1167882 +1   -0.1038462 +1    35    34     8
  C     1.39226510 +1  118.8914458 +1    0.2012251 +1    36    35    34
  C     1.35765854 +1  123.2551731 +1 -111.6088246 +1     8     1     2
  C     1.38980545 +1  122.2806750 +1 -141.6252586 +1     4     1     2
  C     1.40414915 +1  109.3618566 +1 -174.4358049 +1    39     4     1
  C     1.36161093 +1  110.3546880 +1  173.5666432 +1    32     4     1
  N     1.36102159 +1  108.0283660 +1   -0.3643193 +1    22    21    20
  C     1.35318230 +1   60.6822174 +1  162.7598083 +1    10     7     1
  C     1.40553258 +1  121.2872163 +1 -177.7343052 +1    43    10     7
  C     1.39305382 +1  118.9307961 +1   -1.4637530 +1    44    43    10
  C     1.39268008 +1  119.6195655 +1   -0.2480090 +1    45    44    43
  C     1.34241239 +1  179.9974850 +1  -96.8307521 +1    10     7     1
  C     1.39237828 +1  130.8928274 +1  121.7940796 +1     7     1     2
  C     1.41074338 +1  109.6757751 +1  171.0032785 +1    48     7     1
  C     1.40745081 +1  105.1058367 +1    1.2874019 +1    49    48     7
  N     1.36104533 +1  108.0622130 +1   -0.3905723 +1    50    49    48
  H     1.21126943 +1  105.3356524 +1  -70.0030217 +1    14     3     1
  H     1.20656041 +1  140.2485659 +1 -171.5929197 +1    14     3     1
  H     1.08657875 +1  120.7968682 +1  179.3505540 +1    16    15    11
  H     1.09071304 +1  119.9015158 +1 -179.9947578 +1    17    16    15
  H     1.08569301 +1  121.3531541 +1 -178.8458953 +1    18    17    16
  H     1.09921749 +1  115.1899792 +1   94.7770860 +1    19    11     6
  H     1.06597917 +1  128.0461594 +1  179.7778456 +1    21    20     6
  H     1.07488135 +1  128.7329520 +1  179.2123141 +1    22    21    20
  H     1.08642126 +1  120.8284657 +1 -179.8752216 +1    25    24     9
  H     1.09135125 +1  119.8715777 +1  179.6032028 +1    26    25    24
  H     1.08645144 +1  121.2869660 +1  179.4876444 +1    27    26    25
  H     1.09911808 +1  115.4508671 +1   -6.1396583 +1    28     9     1
  H     1.06574209 +1  128.0812081 +1  179.3273283 +1    30    29     3
  H     1.07585414 +1  123.1163854 +1 -179.3854005 +1    31    23     3
  H     1.20022762 +1  116.5381694 +1 -163.3628062 +1    33    32     4
  H     1.22211087 +1  114.6454418 +1  -71.8211917 +1    33    32     4
  H     1.08766955 +1  120.0487326 +1  179.7920972 +1    35    34     8
  H     1.09114145 +1  120.5309482 +1 -179.8238631 +1    36    35    34
  H     1.08725940 +1  121.0430026 +1  179.6947131 +1    37    36    35
  H     1.10077236 +1  115.8077875 +1    1.2660599 +1    38     8     1
  H     1.06501277 +1  128.3594483 +1 -179.6142340 +1    40    39     4
  H     1.07423941 +1  122.9558914 +1  179.8340768 +1    41    32     4
  H     1.08670298 +1  120.6445277 +1  178.5076261 +1    44    43    10
  H     1.09097108 +1  119.9255352 +1 -179.7775922 +1    45    44    43
  H     1.08531190 +1  121.2130274 +1 -178.9171826 +1    46    45    44
  H     1.09747643 +1  115.4650444 +1   79.3880225 +1    47    10     7
  H     1.06531797 +1  128.0649898 +1 -179.9510999 +1    49    48     7
  H     1.07477086 +1  128.8826166 +1  178.8671479 +1    50    49    48