Accuracy

Tb_(QAWHIF) r   6903 Terbium complex, CCDC: QAWHIF (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6893 Gadolinium complex, CCDC: EHAXEQ (Geo)C66H46N4O12Gd2
  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


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: QAWHIF
 <Tb-O2> <Tb-O3> <> <Tb-N4> <> <> <Tb-N5> <> <> <Tb-N6> <> <> <Tb-N7> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.28310002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.32180003 +1   66.5790208 +1    0.0000000 +0     1     2     0
  N     2.46249996 +1  140.6711393 +1  -48.6000958 +1     1     2     3
  N     2.47300002 +1   85.8291995 +1  140.6377122 +1     1     2     3
  N     2.53139997 +1  117.4788915 +1   70.0688357 +1     1     2     3
  N     2.53486695 +1  100.1435982 +1 -131.2300857 +1     1     2     3
  N     3.48025472 +1  150.3148492 +1  163.8339910 +1     1     2     3
  N     3.60788809 +1   76.9653929 +1  -69.8943784 +1     1     2     3
  B     2.52540013 +1   77.4402281 +1  -67.0234434 +1     8     1     2
  B     2.60306569 +1   98.1747256 +1  -62.9236694 +1     4     1     2
  N     1.37192170 +1  127.5251049 +1  -66.8933719 +1     4     1     2
  N     1.29534623 +1  137.7833108 +1  -35.5576096 +1     3     1     2
  N     1.37219383 +1  127.9833150 +1 -152.7226881 +1     5     1     2
  O     2.23619485 +1  171.6715615 +1  -25.1536131 +1     2     1     3
  N     1.36903056 +1  126.3261841 +1  115.8638163 +1     7     1     2
  N     1.36876349 +1  126.7035738 +1  109.3164105 +1     6     1     2
  N     1.35578365 +1  108.8114276 +1  -69.0519757 +1     8     1     2
  N     1.35328140 +1  105.6283990 +1 -153.6032517 +1     9     1     2
  C     1.20374574 +1   26.0847167 +1   42.1849885 +1    15     2     1
  C     1.35685835 +1  121.0396257 +1   39.1953767 +1    13     3     1
  C     1.39515285 +1  118.7496618 +1  179.5734193 +1    21    13     3
  C     1.39210711 +1  120.3439820 +1    0.3935424 +1    22    21    13
  C     1.39409763 +1  119.0432073 +1   -0.1386835 +1    23    22    21
  C     1.36053485 +1  116.1263437 +1 -140.9125022 +1    13     3     1
  C     1.38391509 +1  126.9231845 +1  -70.9661405 +1     6     1     2
  C     1.40116200 +1  110.0473709 +1 -179.0012181 +1    26     6     1
  C     1.41325633 +1  104.9138176 +1   -0.5524682 +1    27    26     6
  C     1.35575521 +1  143.5591352 +1  117.0000000 +1     8     1     2
  C     1.42412329 +1  109.6549047 +1  173.8864833 +1    29     8     1
  C     1.38121297 +1  110.3371729 +1 -176.1567156 +1    18     8     1
  C     1.38648439 +1  125.8302988 +1   26.2986647 +1     5     1     2
  C     1.39995749 +1  110.1219464 +1  179.7038988 +1    32     5     1
  C     1.36031789 +1  110.2940307 +1 -179.8194004 +1    14     5     1
  C     1.38216188 +1  127.1193453 +1  -71.1724104 +1     7     1     2
  C     1.40294003 +1  110.1692129 +1 -174.3842293 +1    35     7     1
  C     1.36329457 +1  110.3505021 +1  174.4238014 +1    16     7     1
  C     1.38609662 +1  126.2154586 +1  120.4466841 +1     4     1     2
  C     1.40059043 +1  110.3615832 +1  174.2305758 +1    38     4     1
  C     1.36115483 +1  110.4217715 +1 -174.0540728 +1    12     4     1
  C     1.35844842 +1  146.9823511 +1   29.1504656 +1     9     1     2
  C     1.42221631 +1  109.7402843 +1  176.9581902 +1    41     9     1
  C     1.38114725 +1  110.3759456 +1 -178.2573066 +1    19     9     1
  H     1.23063884 +1  130.5333322 +1 -158.1270156 +1    11     4     1
  H     1.22915110 +1  133.8040960 +1  178.6458834 +1    10     8     1
  H     1.09856329 +1  118.3763550 +1 -179.5903666 +1    22    21    13
  H     1.09082072 +1  120.4687245 +1  179.6420671 +1    23    22    21
  H     1.09168027 +1  120.7469660 +1  179.3722180 +1    24    23    22
  H     1.09716757 +1  117.7668723 +1    1.0673043 +1    25    13     3
  H     1.07073260 +1  122.0233230 +1   -3.7750725 +1    41     9     1
  H     1.06420159 +1  127.0590713 +1  179.9484300 +1    42    41     9
  H     1.07196677 +1  123.1551773 +1 -179.9741388 +1    43    19     9
  H     1.07645518 +1  121.0543342 +1   -4.6447132 +1    38     4     1
  H     1.06520328 +1  127.9036314 +1 -179.5583239 +1    39    38     4
  H     1.07529912 +1  123.2615816 +1  179.8283830 +1    40    12     4
  H     1.07594925 +1  121.0680323 +1    4.7031589 +1    35     7     1
  H     1.06519325 +1  127.8425346 +1  179.9265017 +1    36    35     7
  H     1.07463866 +1  123.2327104 +1  179.9377038 +1    37    16     7
  H     1.07271982 +1  121.7546759 +1   -6.2039591 +1    29     8     1
  H     1.06418511 +1  126.9236148 +1 -179.8820021 +1    30    29     8
  H     1.07144962 +1  123.0937206 +1  179.9957958 +1    31    18     8
  H     1.08096666 +1  120.6466695 +1   -1.9249345 +1    32     5     1
  H     1.06560482 +1  127.9696303 +1 -179.6696650 +1    33    32     5
  H     1.07547787 +1  123.2364900 +1  179.4754125 +1    34    14     5
  H     1.07719644 +1  120.7720537 +1    1.6713233 +1    26     6     1
  H     1.06527759 +1  127.9840029 +1  179.8099453 +1    27    26     6
  H     1.07554744 +1  128.3501269 +1 -179.7528839 +1    28    27    26