Accuracy

Tb_(MIWTAN) r   6905 Terbium complex, CCDC: MIWTAN (Geo)

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    #  Species Formula
  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
  6915 Terbium complex, CCDC: BAFZOY (Geo)C20H18N5O8Tb


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 CHARGE=1.0
Terbium complex, CCDC: MIWTAN
 <Tb-O2> <Tb-O3> <> <> <> <> <> <> <> <Tb-N6> <> <> <Tb-N7> <> <> <Tb-N8> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.43169577 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43216869 +1  179.8459482 +1    0.0000000 +0     1     2     0
  O     2.19004757 +1  113.5323393 +1  113.9033983 +1     2     1     3
  O     2.19205606 +1  116.1830345 +1  157.4033735 +1     3     1     2
  N     2.56878153 +1   81.4732750 +1 -111.3490083 +1     1     2     3
  N     2.60289428 +1   88.9301321 +1   61.4579372 +1     1     2     3
  N     2.61370367 +1  108.2623497 +1  124.0114941 +1     1     2     3
  N     3.08244468 +1   80.5917622 +1  -50.7133274 +1     1     2     3
  N     2.90379991 +1  101.7688560 +1 -174.1038265 +1     1     2     3
  N     2.71561144 +1   66.2326693 +1   97.4117390 +1     9     1     2
  C     1.28558575 +1  144.9133114 +1  158.0289931 +1     3     1     2
  C     1.49748986 +1  116.4708607 +1  178.9122379 +1    12     3     1
  C     1.22569950 +1   30.3964580 +1 -178.5169377 +1     4     2     1
  C     1.49857284 +1  123.0524544 +1  179.7288634 +1    14     4     2
  C     1.34858046 +1  126.3135665 +1  108.4399716 +1     9     1     2
  C     1.40169372 +1  120.8719622 +1  156.3434219 +1    16     9     1
  C     1.39492177 +1  118.5018896 +1   -0.4797569 +1    17    16     9
  C     1.39581872 +1  120.2134350 +1    1.0202810 +1    18    17    16
  C     1.34814870 +1  109.4958124 +1  -91.9911844 +1     9     1     2
  C     1.45079038 +1  167.1544835 +1  -30.8184682 +1    11     9     1
  C     1.28544647 +1   63.4033788 +1 -177.3732591 +1    11     9     1
  C     1.48903945 +1  127.9185505 +1  169.4468399 +1    22    11     9
  C     1.47564502 +1  116.8734147 +1  -63.1441025 +1     7     1     2
  C     1.30152415 +1  120.6528280 +1  108.4965646 +1     7     1     2
  C     1.48653400 +1  126.4017688 +1 -170.2527144 +1    25     7     1
  C     1.37288318 +1  117.5779603 +1  -85.4013487 +1     8     1     2
  C     1.39029803 +1  122.5337684 +1 -165.6763888 +1    27     8     1
  C     1.40008772 +1  119.0244777 +1   -1.5125526 +1    28    27     8
  C     1.38320390 +1  119.2069420 +1    0.6138592 +1    29    28    27
  C     1.36469786 +1  122.8228539 +1  109.5415804 +1     8     1     2
  C     1.45329698 +1  110.1274660 +1   81.0720522 +1    10     1     2
  C     1.28887945 +1  115.6151774 +1 -126.7915393 +1    10     1     2
  C     1.48481287 +1  126.9952858 +1 -151.8822121 +1    33    10     1
  C     1.49059746 +1  112.1409859 +1  -82.1994458 +1     6     1     2
  C     1.30939674 +1  125.9140552 +1   71.3422518 +1     6     1     2
  C     1.48366898 +1  125.8252565 +1 -146.3049324 +1    36     6     1
  H     1.09891081 +1  110.5670820 +1  -58.1730073 +1    13    12     3
  H     1.09797675 +1  111.4767293 +1 -179.0923611 +1    13    12     3
  H     1.09825070 +1  110.5320549 +1   60.1013716 +1    13    12     3
  H     1.09819078 +1  111.3265820 +1    9.6238195 +1    15    14     4
  H     1.09784937 +1  110.8232712 +1  130.7485688 +1    15    14     4
  H     1.09758765 +1  110.4088763 +1 -110.5705531 +1    15    14     4
  H     1.09012497 +1  121.2092203 +1 -179.6205376 +1    17    16     9
  H     1.09578578 +1  119.9119320 +1 -178.9568535 +1    18    17    16
  H     1.09107007 +1  120.4145016 +1 -179.4607507 +1    19    18    17
  H     1.11186489 +1  114.7641507 +1 -129.5225890 +1    21    11     9
  H     1.12016557 +1  107.4342192 +1  112.1598699 +1    21    11     9
  H     1.10376600 +1  111.6525094 +1   99.2007802 +1    23    22    11
  H     1.10331614 +1  112.4185424 +1 -140.2651079 +1    23    22    11
  H     1.10202049 +1  112.8953151 +1  -20.7040903 +1    23    22    11
  H     1.12182916 +1  106.8486564 +1   58.1054147 +1    24     7     1
  H     1.11039190 +1  113.8015255 +1  175.0815095 +1    24     7     1
  H     1.10588484 +1  111.6744653 +1 -101.7399661 +1    26    25     7
  H     1.10513525 +1  112.5806123 +1  137.7319042 +1    26    25     7
  H     1.10323613 +1  113.8257151 +1   18.4334325 +1    26    25     7
  H     1.09019401 +1  121.9868563 +1  177.6946189 +1    28    27     8
  H     1.09554828 +1  120.0624859 +1 -179.8248478 +1    29    28    27
  H     1.09244977 +1  119.8992364 +1  179.3507603 +1    30    29    28
  H     1.11376513 +1  112.3364559 +1 -154.1464554 +1    32    10     1
  H     1.11634204 +1  110.4009170 +1   86.5038669 +1    32    10     1
  H     1.10052314 +1  113.0804192 +1    1.4762734 +1    34    33    10
  H     1.09956331 +1  113.3145758 +1 -120.1758272 +1    34    33    10
  H     1.11453992 +1  109.9136750 +1  119.1402489 +1    34    33    10
  H     1.11077959 +1  112.8018815 +1 -178.8980409 +1    35     6     1
  H     1.12425433 +1  107.2104250 +1   65.1638270 +1    35     6     1
  H     1.12283134 +1  108.7620165 +1   59.2660355 +1    37    36     6
  H     1.10059495 +1  113.8674823 +1  -59.8543469 +1    37    36     6
  H     1.09859128 +1  114.8866520 +1  175.9501742 +1    37    36     6