Accuracy

Tb_(ZUNCEQ) r   6936 Terbium complex, CCDC: ZUNCEQ (Geo)

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    #  Species Formula
  6926 Terbium complex, CCDC: XORGAM (Geo)C21H23O16Tb
  6927 Terbium complex, CCDC: LEYHOM (Geo)C12H30N3O18Tb
  6928 Terbium complex, CCDC: LEJTEZ (Geo)C12H16N6O20Tb
  6929 Terbium complex, CCDC: BAFWUB (Geo)C21H17O9F18Tb
  6930 Terbium complex, CCDC: PAGBOO (Geo)C31H64N3OSi6Tb
  6931 Terbium complex, CCDC: MIHPIC (Geo)C51H33O8F18P2Tb
  6932 Terbium complex, CCDC: MIHNUM (Geo)C51H30O8F21P2Tb
  6933 Terbium complex, CCDC: PEJZAF (Geo)C72H64N4O8P4Tb
  6934 Terbium complex, CCDC: FAGZAP (Geo)C7H18NO10STb
  6935 Terbium complex, CCDC: QALFUE (Geo)C14H26O12S2Tb
  6936 Terbium complex, CCDC: ZUNCEQ (Geo) C36H38N8O10Tb2
  6937 Terbium complex, CCDC: XUGBUW (Geo)C66H114O12Tb2
  6938 Terbium complex, CCDC: IDOZEG (Geo)C54H58N4O12Tb2
  6939 Terbium complex, CCDC: NIGYUX (Geo)C42H34N8O14Tb2
  6940 Terbium complex, CCDC: JAXWOU01 (Geo)C56H46O18Tb2
  6941 Terbium complex, CCDC: COSVOV (Geo)C64H56N6O26Tb2
  6942 Terbium complex, CCDC: XOCDIC (Geo)C12H12O18F18Tb2
  6943 Terbium complex, CCDC: BACBUC (Geo)C42H34O20Cl12Tb2
  6944 Dysprosium complex, CCDC: XEQMAH (Geo)C27H27N4O3Dy
  6945 Dysprosium complex, CCDC: TUQTUU01 (Geo)C48H66N8O5Dy
  6946 Dysprosium complex, CCDC: CECLIF10 (Geo)C6H24N6O6Dy


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: ZUNCEQ
 <Tb-O2> <Tb-O3> <> <Tb-O4> <> <> <Tb-O5> <> <> <> <> <> <Tb-N7> <> <> <Tb-O3> GR=CCDC
 Tb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.17073844 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.33389999 +1  113.5821371 +1    0.0000000 +0     1     2     0
  O     2.34390000 +1  126.0488418 +1   93.7418792 +1     1     2     3
  O     2.47425911 +1  104.7636603 +1 -168.3231757 +1     1     2     3
  O     2.14785451 +1  147.4043878 +1  -35.4694884 +1     5     1     2
  N     2.53772090 +1   72.7797800 +1  -78.7258061 +1     1     2     3
 Tb     2.33389999 +1  118.9064691 +1 -105.2073889 +1     4     1     2
  N     3.36562983 +1  135.4371905 +1  -86.9545085 +1     1     2     3
  N     3.79319726 +1  168.8648526 +1  156.3410775 +1     1     2     3
  N     1.29597826 +1  173.9388118 +1  -95.2496794 +1     5     1     2
  N     3.76645041 +1   75.5912799 +1   43.2401580 +1     8     4     1
  O     1.22422484 +1  116.5815071 +1 -110.5425681 +1    11     5     1
  O     2.03460291 +1   96.9705370 +1 -157.7120198 +1     8     4     1
  N     3.50811255 +1   79.8436227 +1   94.1162313 +1     8     4     1
  O     1.98935668 +1  146.7431917 +1   16.5059082 +1     8     4     1
  C     1.37506883 +1  122.2816939 +1   83.8504478 +1     4     1     2
  C     1.39921926 +1  116.6643348 +1  -97.0795132 +1    17     4     1
  C     1.38903164 +1  118.9059054 +1 -176.4701573 +1    18    17     4
  C     1.39592372 +1  120.2848891 +1   -0.0346095 +1    19    18    17
  C     1.39004084 +1  119.9877629 +1   -1.9404292 +1    20    19    18
  C     1.40263299 +1  121.2542109 +1   83.5936589 +1    17     4     1
  C     1.28979485 +1   91.6042531 +1    2.6776337 +1    10     1     2
  C     1.46218335 +1  110.2078273 +1  124.4699908 +1    10     1     2
  C     1.48030147 +1  112.6780974 +1 -130.7983608 +1     9     1     2
  C     1.48165324 +1   92.6185839 +1  -14.3654698 +1     9     1     2
  C     1.49028738 +1  118.2408149 +1  172.6624381 +1     7     1     2
  C     1.31710295 +1  127.8529889 +1   -2.3540168 +1     7     1     2
  C     1.44181737 +1  126.6290263 +1    0.0237631 +1    28     7     1
  C     1.41527161 +1  117.7350066 +1 -178.4057622 +1    29    28     7
  C     1.37612494 +1  121.7032988 +1 -178.4730889 +1    30    29    28
  C     1.41301401 +1  120.0836505 +1   -0.0133683 +1    31    30    29
  C     1.37193025 +1  120.5861719 +1   -0.1575265 +1    32    31    30
  C     1.28844138 +1  147.3694850 +1   83.7367722 +1     2     1     3
  N     3.37292092 +1   85.7163642 +1  146.1777772 +1     8     4     1
  O     2.16003577 +1  145.6630161 +1   69.4031710 +1    16     8     4
  H     1.08443763 +1  120.0770579 +1    1.9806508 +1    18    17     4
  H     1.08922677 +1  119.9838373 +1  179.8998947 +1    19    18    17
  H     1.08875811 +1  120.0499106 +1  178.8268808 +1    20    19    18
  H     1.09220172 +1  119.3571867 +1 -178.4077355 +1    21    20    19
  H     1.10766247 +1  124.1184013 +1  116.7486003 +1    23    10     1
  H     1.11370278 +1  106.6353549 +1   88.7681862 +1    24    10     1
  H     1.11183443 +1  112.1093735 +1 -155.2867318 +1    24    10     1
  H     1.10817406 +1  112.8531509 +1  161.9945773 +1    25     9     1
  H     1.12285835 +1  108.2008952 +1   43.9858720 +1    25     9     1
  H     1.02024940 +1  115.2948263 +1  100.4964694 +1     9     1     2
  H     1.10889434 +1  112.9445160 +1  176.2220188 +1    26     9     1
  H     1.11582211 +1  108.9581866 +1  -65.5981696 +1    26     9     1
  H     1.11899360 +1  106.7201648 +1  -67.5303887 +1    27     7     1
  H     1.11070623 +1  112.6536668 +1  176.4135105 +1    27     7     1
  H     1.11217579 +1  119.8949444 +1  178.9716478 +1    28     7     1
  H     1.09192990 +1  118.8390485 +1    1.5814068 +1    30    29    28
  H     1.08608422 +1  120.7159608 +1 -179.8876544 +1    31    30    29
  H     1.09109040 +1  118.9140747 +1  179.9916531 +1    32    31    30
  H     1.08497315 +1  122.6052484 +1 -179.5388962 +1    33    32    31
  C     1.30187122 +1  144.3986937 +1  -41.9537277 +1     3     1     2
  C     1.41600804 +1  117.8125450 +1 -102.9055731 +1    56     3     1
  C     1.37992083 +1  119.6381451 +1  178.3153095 +1    57    56     3
  C     1.40228955 +1  120.4317486 +1   -0.2087045 +1    58    57    56
  C     1.38486125 +1  119.8265583 +1    1.3828654 +1    59    58    57
  C     1.41268011 +1  121.5441827 +1   77.0838943 +1    56     3     1
  C     1.29254267 +1  115.1896261 +1 -129.9376140 +1    12     8     4
  C     1.45960994 +1  113.8149413 +1   87.1605286 +1    12     8     4
  C     1.48431296 +1  109.9481086 +1 -113.3914673 +1    15     8     4
  C     1.46081917 +1  121.4982950 +1  -84.2857936 +1    35     8     4
  C     1.48453131 +1  103.3483354 +1  127.9495414 +1    15     8     4
  H     1.02075061 +1  111.0967724 +1    9.1839891 +1    15     8     4
  H     1.11080470 +1  112.6573388 +1  166.2369003 +1    66    15     8
  H     1.11415768 +1  107.8784469 +1   48.5707147 +1    66    15     8
  H     1.11456050 +1  109.0390771 +1   92.5624531 +1    65    35     8
  H     1.11284251 +1  113.2576194 +1 -149.1970765 +1    65    35     8
  C     1.29203341 +1  119.2566050 +1   92.3658847 +1    35     8     4
  C     1.45756092 +1  124.0445879 +1    0.4707020 +1    72    35     8
  C     1.40858592 +1  116.6480856 +1 -172.5275036 +1    73    72    35
  C     1.38227264 +1  121.8961996 +1  178.8028836 +1    74    73    72
  C     1.40482932 +1  119.8961967 +1    0.5507826 +1    75    74    73
  C     1.37710743 +1  120.3627707 +1   -0.3132692 +1    76    75    74
  C     1.30564958 +1  165.0506481 +1  -28.5466241 +1    14     8     4
  N     1.19735560 +1   35.3658424 +1 -170.6596219 +1    36    16     8
  O     1.19376299 +1  131.3810592 +1 -179.7674554 +1    79    36    16
  H     1.08455714 +1  122.1139521 +1 -179.8488661 +1    77    76    75
  H     1.09019625 +1  119.3834076 +1  179.7576445 +1    76    75    74
  H     1.08551243 +1  120.4519285 +1 -179.5592733 +1    75    74    73
  H     1.09148932 +1  118.9351645 +1   -0.8504089 +1    74    73    72
  H     1.10847018 +1  122.2954411 +1 -178.4309317 +1    72    35     8
  H     1.11002717 +1  112.6533884 +1 -163.2121206 +1    64    15     8
  H     1.11619346 +1  107.8272213 +1  -45.4972766 +1    64    15     8
  H     1.11526423 +1  107.2178560 +1  -85.3395275 +1    63    12     8
  H     1.11165951 +1  114.0775860 +1  157.9018143 +1    63    12     8
  H     1.10635554 +1  122.8599258 +1 -142.0526001 +1    62    12     8
  H     1.09221801 +1  119.2157608 +1  178.7227810 +1    60    59    58
  H     1.08636223 +1  119.7848989 +1 -179.5714130 +1    59    58    57
  H     1.09053675 +1  120.1915054 +1  179.4611365 +1    58    57    56
  H     1.08223915 +1  118.7102815 +1   -3.0277975 +1    57    56     3