Accuracy

Sm_(QQQEMA01) r   6731 Samarium complex, CCDC: QQQEMA01 (Geo)

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    #  Species Formula
  6721 Samarium complex, CCDC: XILGOO (Geo)C29H46N6O7F3SSm
  6722 Samarium complex, CCDC: GUPHUU (Geo)C12H20N4O4S4Sm
  6723 Samarium complex, CCDC: XOGYOH (Geo)C32H16O8F12S4Sm
  6724 Samarium complex, CCDC: HAWMUN (Geo)C19H24N4O4S3ClSm
  6725 Samarium complex, CCDC: ADELAW (Geo)C27H24N4O3Cl3Sm
  6726 Samarium complex, CCDC: DOXFUR (Geo)C20H40O5I2Sm
  6727 Samarium complex, CCDC: WIGVOX (Geo)C40H62N20O2Sm2
  6728 Samarium complex, CCDC: HAPMEQ (Geo)C54H54N8O6Sm2
  6729 Samarium complex, CCDC: MEWGOK (Geo)C56H42N4O12Sm2
  6730 Samarium complex, CCDC: LIXDUR (Geo)C66H46N4O12Sm2
  6731 Samarium complex, CCDC: QQQEMA01 (Geo) C12H26O14Sm2
  6732 Samarium complex, CCDC: SOXKAR (Geo)C12H26O16Sm2
  6733 Samarium complex, CCDC: SMNICD (Geo)C36H32N6O16Sm2
  6734 Samarium complex, CCDC: CUMDAP (Geo)C16H28O18Sm2
  6735 Samarium complex, CCDC: COSLEB (Geo)C42H42O24Sm2
  6736 Europium complex, CCDC: GAPRUK (Geo)C72H88N8Eu
  6737 Europium complex, CCDC: HAZGAQ (Geo)C48H42N14Eu
  6738 Europium complex, CCDC: EGOBEH (Geo)C27H30B3N18Eu
  6739 Europium complex, CCDC: XICHIA (Geo)C23H27B2N12O2Eu
  6740 Europium complex, CCDC: XICHOG (Geo)C33H31B2N12O2Eu
  6741 Europium complex, CCDC: ZUCCIJ (Geo)C26H27B2N12O3Eu


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
Samarium complex, CCDC: QQQEMA01
 <Sm-O2> <Sm-O3> <> <Sm-O4> <> <> <Sm-O5> <> <> <Sm-O6> <> <> <Sm-O7> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.38820011 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.40590019 +1   98.3585103 +1    0.0000000 +0     1     2     0
  O     2.42320002 +1   98.7085406 +1  -88.8197203 +1     1     2     3
  O     2.45017726 +1   69.5876939 +1  101.2898746 +1     1     2     3
  O     2.47640010 +1  105.4774970 +1 -171.6966623 +1     1     2     3
  O     2.48723305 +1  171.4802613 +1   60.6766061 +1     1     2     3
 Sm     3.22602172 +1  115.7277815 +1  177.9254380 +1     4     1     2
  O     2.20816656 +1  124.6932488 +1    9.4539839 +1     6     1     2
  O     2.18755428 +1  113.2402887 +1   -0.2152340 +1     5     1     2
  O     2.18269212 +1  122.4301584 +1 -146.4759442 +1     7     1     2
  O     3.30743422 +1   66.9016262 +1   73.5207482 +1     8     4     1
  O     3.34880788 +1   73.0850147 +1  -90.0159857 +1     8     4     1
  O     3.78557816 +1  162.8118453 +1  -18.0263012 +1     8     4     1
  O     1.64477565 +1  119.7203362 +1  168.3710115 +1     8     4     1
  O     2.24358150 +1  150.2998214 +1 -174.7273745 +1    15     8     4
  C     1.22817920 +1  153.2239019 +1 -133.0824018 +1     7     1     2
  C     1.47978550 +1  124.3716727 +1  159.3912405 +1    17     7     1
  C     1.30551394 +1  142.8267344 +1  -19.8859143 +1     6     1     2
  C     1.50936752 +1  113.9172169 +1 -119.5701546 +1    19     6     1
  C     1.26160246 +1   30.1662545 +1  178.3878466 +1    10     5     1
  C     1.48869976 +1  120.6379662 +1  179.5440527 +1    21    10     5
  C     1.26074158 +1  164.7592920 +1  -22.2792505 +1     4     1     2
  C     1.21832844 +1  129.2021093 +1   34.4636588 +1    13     8     4
  C     1.18031133 +1   35.6361360 +1  179.7876489 +1    16    15     8
  C     1.47204755 +1  134.5364351 +1 -179.9084855 +1    25    16    15
  C     1.49247424 +1  120.5947174 +1  179.8113198 +1    24    13     8
  C     1.49776710 +1  116.8231467 +1   14.0227978 +1    23     4     1
  H     1.10299903 +1  110.7191769 +1  103.0954630 +1    18    17     7
  H     1.10356967 +1  111.3799872 +1  -16.6402678 +1    18    17     7
  H     1.10248493 +1  111.7658920 +1 -137.7441358 +1    18    17     7
  H     1.09424277 +1  111.0631421 +1  -37.8638646 +1    20    19     6
  H     1.09814098 +1  109.5237020 +1   80.8264044 +1    20    19     6
  H     1.09682177 +1  110.9820516 +1 -159.7514714 +1    20    19     6
  H     1.09982814 +1  111.7870204 +1   -9.2223906 +1    22    21    10
  H     1.10045808 +1  111.1023940 +1 -130.6499445 +1    22    21    10
  H     1.10157442 +1  110.3268576 +1  111.0280677 +1    22    21    10
  H     1.80086131 +1  119.2821108 +1 -114.4242696 +1     3     1     2
  H     0.89720944 +1  141.8312405 +1   56.0571987 +1     3     1     2
  H     1.17126764 +1  113.1464992 +1 -101.1255574 +1     2     1     3
  H     0.93961655 +1  141.5671413 +1   82.1019120 +1     2     1     3
  H     0.99734979 +1  103.4766546 +1  -30.2159054 +1    12     8     4
  H     0.94658154 +1  148.0850202 +1  119.0524158 +1    12     8     4
  H     0.95743887 +1  125.3163973 +1  176.1263354 +1    14     8     4
  H     0.95501582 +1  128.1340842 +1    3.7514459 +1    14     8     4
  H     1.10205275 +1  111.4472652 +1    0.9782499 +1    26    25    16
  H     1.10874389 +1  111.7506416 +1  122.0095446 +1    26    25    16
  H     1.10819426 +1  111.5358356 +1 -119.8705874 +1    26    25    16
  H     1.10068820 +1  110.8843795 +1 -129.6129194 +1    27    24    13
  H     1.10293648 +1  110.0059461 +1  112.4194361 +1    27    24    13
  H     1.09888066 +1  112.3866392 +1   -7.9027410 +1    27    24    13
  H     1.09465131 +1  111.7460472 +1   60.8698251 +1    28    23     4
  H     1.09121514 +1  110.8561123 +1 -178.2923464 +1    28    23     4
  H     1.09874366 +1  110.7474985 +1  -58.3650793 +1    28    23     4