Accuracy

Tb_(VAPTEL01) r   6911 Terbium complex, CCDC: VAPTEL01 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  6916 Terbium complex, CCDC: DUCQEX (Geo)C13H14N8O8Tb
  6917 Terbium complex, CCDC: BUVXEV01 (Geo)H18O9Tb
  6918 Terbium complex, CCDC: ZZZARD01 (Geo)H18O9Tb
  6919 Terbium complex, CCDC: KUYBEL (Geo)C6H22O9Tb
  6920 Terbium complex, CCDC: FOPPUV (Geo)C8H26O9Tb
  6921 Terbium complex, CCDC: KITGAV (Geo)C8H26O9Tb


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=3.0
Terbium complex, CCDC: VAPTEL01
 <Tb-O2> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.23669998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.66222204 +1   93.1098491 +1    0.0000000 +0     1     2     0
  O     2.65153541 +1   91.8589926 +1   92.4277344 +1     1     2     3
  O     2.58986393 +1   90.2921979 +1  -87.7200394 +1     1     2     3
  O     2.49614294 +1  175.6447792 +1   58.2624614 +1     1     2     3
  O     2.60902082 +1   88.6132142 +1  177.6370691 +1     1     2     3
  N    -4.32242382 +1    1.2556808 +1   -0.9387168 +1     0     0     0
  N     4.15019698 +1   -1.0791476 +1    0.6966164 +1     0     0     0
  C    -0.22416093 +1   -0.0292476 +1   -3.8690074 +1     0     0     0
  C     0.42015844 +1    0.7838787 +1   -4.8619202 +1     0     0     0
  H     1.16859321 +1    1.5176596 +1   -4.6451951 +1     0     0     0
  C    -0.09726144 +1    0.4231625 +1   -6.0915257 +1     0     0     0
  C     0.21310746 +1    0.9612641 +1   -7.4229809 +1     0     0     0
  H     0.56760862 +1    0.1772371 +1   -8.1212352 +1     0     0     0
  H     1.01236711 +1    1.7250325 +1   -7.3851063 +1     0     0     0
  H    -0.65885378 +1    1.4426672 +1   -7.9028578 +1     0     0     0
  C    -2.16463601 +1   -0.8220974 +1   -6.7680216 +1     0     0     0
  H    -2.86416999 +1    0.0269235 +1   -6.6701364 +1     0     0     0
  H    -2.71623817 +1   -1.7461944 +1   -6.5003584 +1     0     0     0
  H    -1.84846030 +1   -0.9191162 +1   -7.8273153 +1     0     0     0
  C    -1.71054076 +1   -2.0547705 +1   -4.0436323 +1     0     0     0
  C    -1.43885703 +1   -3.2766953 +1   -4.6655961 +1     0     0     0
  H    -0.78278016 +1   -3.3234106 +1   -5.5364721 +1     0     0     0
  C    -2.02495021 +1   -4.4337725 +1   -4.1593952 +1     0     0     0
  H    -1.84842276 +1   -5.3891460 +1   -4.6588064 +1     0     0     0
  C    -2.85151612 +1   -4.3719295 +1   -3.0389233 +1     0     0     0
  H    -3.32435239 +1   -5.2778993 +1   -2.6569996 +1     0     0     0
  C    -3.09336536 +1   -3.1499935 +1   -2.4117922 +1     0     0     0
  H    -3.73963240 +1   -3.1062403 +1   -1.5338932 +1     0     0     0
  C    -2.53105586 +1   -1.9798116 +1   -2.9118935 +1     0     0     0
  H    -2.74034023 +1   -1.0165958 +1   -2.4469259 +1     0     0     0
  C    -0.06567974 +1    3.8661898 +1    0.2311063 +1     0     0     0
  N     0.76028966 +1   -4.3821798 +1   -1.3916092 +1     0     0     0
  N    -0.88040130 +1    4.4615418 +1    1.2260823 +1     0     0     0
  C     0.40043603 +1    6.0894020 +1    0.3000282 +1     0     0     0
  C     0.76959253 +1    4.9018434 +1   -0.3059001 +1     0     0     0
  H     1.51946252 +1    4.7427456 +1   -1.0527875 +1     0     0     0
  C     0.95995945 +1    7.4356826 +1    0.1161415 +1     0     0     0
  H     0.19584389 +1    8.1686050 +1   -0.2110460 +1     0     0     0
  H     1.75149522 +1    7.4518542 +1   -0.6567381 +1     0     0     0
  H     1.41481196 +1    7.8400534 +1    1.0389401 +1     0     0     0
  C    -0.93793229 +1    6.6146104 +1    2.3602315 +1     0     0     0
  H    -0.15633321 +1    6.4201646 +1    3.1161385 +1     0     0     0
  H    -1.91626915 +1    6.3472321 +1    2.8099000 +1     0     0     0
  H    -0.96524653 +1    7.6988681 +1    2.1264112 +1     0     0     0
  C    -2.14243246 +1    3.9484205 +1    1.6604418 +1     0     0     0
  C    -3.34966784 +1    4.5467743 +1    1.2886480 +1     0     0     0
  H    -3.35794514 +1    5.4156496 +1    0.6279926 +1     0     0     0
  C    -4.54056465 +1    4.0215199 +1    1.7827319 +1     0     0     0
  H    -5.48823476 +1    4.4994938 +1    1.5240989 +1     0     0     0
  C    -4.52359792 +1    2.9077560 +1    2.6207659 +1     0     0     0
  H    -5.45795159 +1    2.5101450 +1    3.0197274 +1     0     0     0
  C    -3.31320048 +1    2.3086354 +1    2.9687421 +1     0     0     0
  H    -3.30405024 +1    1.4383901 +1    3.6267469 +1     0     0     0
  C    -2.11108426 +1    2.8272758 +1    2.4970853 +1     0     0     0
  H    -1.15952372 +1    2.3855694 +1    2.7911108 +1     0     0     0
  C     3.47893793 +1   -0.1471925 +1   -0.1074610 +1     0     0     0
  N     1.01935917 +1    0.8557838 +1    4.5014722 +1     0     0     0
  N    -1.18786630 +1   -0.8206435 +1   -4.5379319 +1     0     0     0
  C     5.67404473 +1   -0.0793605 +1   -0.6489848 +1     0     0     0
  C     4.43120511 +1    0.4531844 +1   -0.9790393 +1     0     0     0
  H     4.20306453 +1    1.1808588 +1   -1.7324270 +1     0     0     0
  C     6.98635156 +1    0.1803095 +1   -1.2530420 +1     0     0     0
  H     7.72509851 +1    0.5605274 +1   -0.5189263 +1     0     0     0
  H     6.93063033 +1    0.9453634 +1   -2.0515391 +1     0     0     0
  H     7.43066931 +1   -0.7216010 +1   -1.7146438 +1     0     0     0
  C     6.39239669 +1   -2.0578328 +1    0.7443149 +1     0     0     0
  H     6.28122681 +1   -2.8556377 +1   -0.0142002 +1     0     0     0
  H     6.16252360 +1   -2.4994615 +1    1.7364378 +1     0     0     0
  H     7.45017886 +1   -1.7189950 +1    0.7700363 +1     0     0     0
  C     3.70383209 +1   -1.6094498 +1    1.9492338 +1     0     0     0
  C     4.22455955 +1   -1.1424904 +1    3.1595103 +1     0     0     0
  H     4.98082513 +1   -0.3559101 +1    3.1757542 +1     0     0     0
  C     3.76726777 +1   -1.7065950 +1    4.3474818 +1     0     0     0
  H     4.18307544 +1   -1.3683855 +1    5.2996161 +1     0     0     0
  C     2.79775531 +1   -2.7084435 +1    4.3217506 +1     0     0     0
  H     2.44684917 +1   -3.1535089 +1    5.2554337 +1     0     0     0
  C     2.28289034 +1   -3.1589750 +1    3.1065118 +1     0     0     0
  H     1.52958245 +1   -3.9496454 +1    3.0914578 +1     0     0     0
  C     2.73706265 +1   -2.6184720 +1    1.9067631 +1     0     0     0
  H     2.35534451 +1   -2.9844710 +1    0.9522380 +1     0     0     0
  C     0.09247958 +1    0.0351291 +1    3.8164457 +1     0     0     0
  N     0.57288757 +1   -5.7944656 +1   -1.3354613 +1     0     0     0
  N    -0.73422579 +1    5.8757816 +1    1.1097075 +1     0     0     0
  C    -0.07379554 +1   -0.4088222 +1    6.0364374 +1     0     0     0
  C    -0.55188653 +1   -0.7901511 +1    4.7948126 +1     0     0     0
  H    -1.27705886 +1   -1.5444796 +1    4.5669922 +1     0     0     0
  C    -0.40183176 +1   -0.9490877 +1    7.3621927 +1     0     0     0
  H    -0.81915939 +1   -0.1770553 +1    8.0396199 +1     0     0     0
  H    -1.16249101 +1   -1.7507048 +1    7.3059823 +1     0     0     0
  H     0.47467604 +1   -1.3839877 +1    7.8771898 +1     0     0     0
  C     1.92822448 +1    0.9183280 +1    6.7632073 +1     0     0     0
  H     2.65687320 +1    0.0897887 +1    6.7169298 +1     0     0     0
  H     2.46013759 +1    1.8527134 +1    6.4911335 +1     0     0     0
  H     1.56856636 +1    1.0336299 +1    7.8075520 +1     0     0     0
  C     1.51125533 +1    2.1064652 +1    4.0136333 +1     0     0     0
  C     1.16484447 +1    3.3221017 +1    4.6098161 +1     0     0     0
  H     0.47429199 +1    3.3508862 +1    5.4547586 +1     0     0     0
  C     1.71850053 +1    4.4978700 +1    4.1096146 +1     0     0     0
  H     1.48039712 +1    5.4508550 +1    4.5885857 +1     0     0     0
  C     2.58603363 +1    4.4591747 +1    3.0194111 +1     0     0     0
  H     3.03008872 +1    5.3810418 +1    2.6401839 +1     0     0     0
  C     2.90411474 +1    3.2416358 +1    2.4183006 +1     0     0     0
  H     3.58097711 +1    3.2165814 +1    1.5631949 +1     0     0     0
  C     2.37627661 +1    2.0536882 +1    2.9143546 +1     0     0     0
  H     2.64476551 +1    1.0961354 +1    2.4710827 +1     0     0     0
  C    -0.04732815 +1   -3.8040680 +1   -0.3853548 +1     0     0     0
  N    -5.73110218 +1    1.1078298 +1   -0.8004233 +1     0     0     0
  N    -0.96058741 +1   -0.6850264 +1   -5.9397763 +1     0     0     0
  C    -0.57231490 +1   -6.0081786 +1   -0.5406744 +1     0     0     0
  C    -0.91386333 +1   -4.8344174 +1    0.1081052 +1     0     0     0
  H    -1.66873278 +1   -4.6841517 +1    0.8525816 +1     0     0     0
  C    -1.16747242 +1   -7.3450970 +1   -0.4132488 +1     0     0     0
  H    -0.42508929 +1   -8.1101023 +1   -0.1096668 +1     0     0     0
  H    -1.96664075 +1   -7.3712128 +1    0.3517534 +1     0     0     0
  H    -1.62388120 +1   -7.6999942 +1   -1.3556213 +1     0     0     0
  C     0.76412146 +1   -6.4876751 +1   -2.6137203 +1     0     0     0
  H    -0.00446115 +1   -6.2358385 +1   -3.3668253 +1     0     0     0
  H     1.75472815 +1   -6.2349480 +1   -3.0443439 +1     0     0     0
  H     0.75344012 +1   -7.5811521 +1   -2.4253122 +1     0     0     0
  C     2.03102455 +1   -3.8847517 +1   -1.8177204 +1     0     0     0
  C     3.22678590 +1   -4.5028656 +1   -1.4402085 +1     0     0     0
  H     3.21691542 +1   -5.3767028 +1   -0.7860504 +1     0     0     0
  C     4.42883221 +1   -3.9953339 +1   -1.9260178 +1     0     0     0
  H     5.36718874 +1   -4.4902029 +1   -1.6644264 +1     0     0     0
  C     4.43364748 +1   -2.8814731 +1   -2.7641183 +1     0     0     0
  H     5.37509378 +1   -2.5020190 +1   -3.1638540 +1     0     0     0
  C     3.23506827 +1   -2.2623425 +1   -3.1170985 +1     0     0     0
  H     3.24256430 +1   -1.3926923 +1   -3.7765451 +1     0     0     0
  C     2.02235666 +1   -2.7613407 +1   -2.6514006 +1     0     0     0
  H     1.07916583 +1   -2.3010491 +1   -2.9472140 +1     0     0     0
  C    -3.71336508 +1    0.2910300 +1   -0.1096147 +1     0     0     0
  N     5.54055044 +1   -0.8977410 +1    0.4810209 +1     0     0     0
  N     0.76149307 +1    0.7189542 +1    5.8971052 +1     0     0     0
  C    -5.93923466 +1    0.2937788 +1    0.3266925 +1     0     0     0
  C    -4.73644025 +1   -0.2786074 +1    0.7123829 +1     0     0     0
  H    -4.56801509 +1   -1.0184116 +1    1.4677798 +1     0     0     0
  C    -7.28673539 +1    0.0752265 +1    0.8689410 +1     0     0     0
  H    -8.00241783 +1   -0.2726099 +1    0.0975301 +1     0     0     0
  H    -7.29359358 +1   -0.6967032 +1    1.6616733 +1     0     0     0
  H    -7.71898138 +1    0.9890513 +1    1.3168922 +1     0     0     0
  C    -6.51727272 +1    2.3177752 +1   -1.0551279 +1     0     0     0
  H    -6.37780097 +1    3.0994452 +1   -0.2861771 +1     0     0     0
  H    -6.24497094 +1    2.7572532 +1   -2.0371752 +1     0     0     0
  H    -7.58983410 +1    2.0358393 +1   -1.1041328 +1     0     0     0
  C    -3.80524354 +1    1.7281052 +1   -2.1862165 +1     0     0     0
  C    -4.35724011 +1    1.3278258 +1   -3.4063540 +1     0     0     0
  H    -5.18548638 +1    0.6181868 +1   -3.4360888 +1     0     0     0
  C    -3.83605098 +1    1.8563064 +1   -4.5842657 +1     0     0     0
  H    -4.27732334 +1    1.5743193 +1   -5.5426812 +1     0     0     0
  C    -2.77175921 +1    2.7557125 +1   -4.5403165 +1     0     0     0
  H    -2.37617692 +1    3.1797902 +1   -5.4648135 +1     0     0     0
  C    -2.21836766 +1    3.1313160 +1   -3.3165875 +1     0     0     0
  H    -1.38596751 +1    3.8366506 +1   -3.2869548 +1     0     0     0
  C    -2.73394857 +1    2.6253170 +1   -2.1269765 +1     0     0     0
  H    -2.32315583 +1    2.9336340 +1   -1.1650820 +1     0     0     0