Accuracy

Sm_(QIPQOV) r   6697 Samarium complex, CCDC: QIPQOV (Geo)

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    #  Species Formula
  6687 Samarium complex, CCDC: XEPLAF (Geo)C40H32N8Sm
  6688 Samarium complex, CCDC: YUBPAM (Geo)C80H62N8Sm
  6689 Samarium complex, CCDC: HARNUJ (Geo)C30H44B2N12Sm
  6690 Samarium complex, CCDC: JAQNOE (Geo)C24H28B3N16Sm
  6691 Samarium complex, CCDC: QOCKIC (Geo)C64H32N16Sm
  6692 Samarium complex, CCDC: QIHKAT (Geo)C35H48B2N13OSm
  6693 Samarium complex, CCDC: XEXJAL (Geo)C27H27N4O3Sm
  6694 Samarium complex, CCDC: ZALDUL (Geo)C57H75N6O3Sm
  6695 Samarium complex, CCDC: NAFKIO (Geo)C44H67O5Sm
  6696 Samarium complex, CCDC: XAXYAW (Geo)C40H67N2O6Sm
  6697 Samarium complex, CCDC: QIPQOV (Geo) C21H27N3O6Sm
  6698 Samarium complex, CCDC: CAZHAM (Geo)C15H25O8Sm
  6699 Samarium complex, CCDC: YEYLAP (Geo)C37H67O8Sm
  6700 Samarium complex, CCDC: NOWTUO (Geo)C15H25N4O8Sm
  6701 Samarium complex, CCDC: FUJYEO (Geo)C8H20N12O8Sm
  6702 Samarium complex, CCDC: BUVWUK01 (Geo)H18O9Sm
  6703 Samarium complex, CCDC: KUYBAH (Geo)C6H24O9Sm
  6704 Samarium complex, CCDC: GINPEY (Geo)C8H26O9Sm
  6705 Samarium complex, CCDC: CORKEZ (Geo)C14H14N2O9Sm
  6706 Samarium complex, CCDC: YENHOO (Geo)C21H27N6O9Sm
  6707 Samarium complex, CCDC: LUHFEZ (Geo)C18H14N7O9Sm


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
Samarium complex, CCDC: QIPQOV
 <Sm-O2> <Sm-O3> <> <Sm-O4> <> <> <Sm-O5> <> <> <Sm-O6> <> <> <Sm-N7> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.42160042 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.42680027 +1  164.2064098 +1    0.0000000 +0     1     2     0
  O     2.42850041 +1   70.0341254 +1  157.7904729 +1     1     2     3
  O     2.43330035 +1   85.6698577 +1   -2.7785634 +1     1     2     3
  O     2.43559946 +1   81.8126794 +1 -118.4121872 +1     1     2     3
  N     2.59049964 +1  130.0224830 +1  137.9643521 +1     1     2     3
  O     4.28250930 +1   80.0865516 +1 -154.0450261 +1     1     2     3
  N     4.02446013 +1   45.6105130 +1 -169.7488668 +1     1     2     3
  N     2.58396763 +1   70.6142697 +1   83.6421349 +1     6     1     2
  C     1.35163275 +1  171.7566818 +1  -32.0565761 +1    10     6     1
  C     1.39499779 +1  122.0924184 +1 -151.3641420 +1    11    10     6
  C     1.39970766 +1  118.1482071 +1   -0.0960410 +1    12    11    10
  C     1.39695850 +1  119.9688545 +1   -0.1089157 +1    13    12    11
  C     1.35095109 +1   67.7182010 +1  174.3452521 +1    10     6     1
  C     1.49545384 +1  135.9269523 +1  -74.3048910 +1     5     1     2
  C     1.46104610 +1  136.0252622 +1   99.0601060 +1     6     1     2
  C     1.38374169 +1  129.2852572 +1 -154.7764124 +1     4     1     2
  C     1.36580635 +1  120.2270046 +1   18.2696127 +1     7     1     2
  C     1.39939417 +1  122.6243209 +1  178.0505000 +1    19     7     1
  C     1.38984161 +1  119.3317252 +1   -1.3382352 +1    20    19     7
  C     1.40216229 +1  118.9454335 +1   -0.7274938 +1    21    20    19
  C     1.36993374 +1  122.6780224 +1 -166.7518687 +1     7     1     2
  C     1.47744210 +1  129.0622405 +1  138.4155021 +1     3     1     2
  C     1.42439357 +1  132.3555765 +1  -20.7483186 +1     8     1     2
  C     1.35289118 +1  135.3308644 +1  131.0817317 +1     9     1     2
  C     1.40388505 +1  120.5301849 +1 -135.2231001 +1    26     9     1
  C     1.38977898 +1  119.4286963 +1    1.7303064 +1    27    26     9
  C     1.40277026 +1  119.3664399 +1    2.6478868 +1    28    27    26
  C     1.36790194 +1   91.4081620 +1   -7.0281534 +1     9     1     2
  C     1.47345879 +1  131.8505103 +1 -138.5232172 +1     2     1     3
  H     1.09750583 +1  121.6756807 +1 -179.8142743 +1    12    11    10
  H     1.10536036 +1  119.9352920 +1 -179.8518513 +1    13    12    11
  H     1.09674470 +1  120.3451068 +1 -179.6023318 +1    14    13    12
  H     1.09712619 +1  120.2947865 +1  178.5601797 +1    20    19     7
  H     1.10410179 +1  120.8125607 +1  179.5593004 +1    21    20    19
  H     1.09731059 +1  119.7477606 +1 -178.9455768 +1    22    21    20
  H     1.10273488 +1  120.1775112 +1 -177.6281475 +1    27    26     9
  H     1.10661025 +1  120.5947242 +1 -177.9089709 +1    28    27    26
  H     1.10003975 +1  119.8756639 +1  177.9668414 +1    29    28    27
  H     1.40757604 +1  114.0613808 +1   49.8901219 +1     4     1     2
  H     0.99843356 +1  124.4777290 +1  -44.8402838 +1     3     1     2
  H     1.00128331 +1  120.4594638 +1  106.2624536 +1     5     1     2
  H     1.02094124 +1  116.4393199 +1  -79.7540668 +1     6     1     2
  H     0.99577589 +1  120.0932587 +1   50.9227395 +1     2     1     3
  H     0.98915762 +1  115.7900234 +1  176.0748605 +1     8     1     2
  H     1.11278884 +1  105.1508222 +1 -130.5871800 +1    16     5     1
  H     1.11175850 +1  104.5167476 +1  111.5509463 +1    16     5     1
  H     1.10918660 +1  106.9742006 +1 -142.4590149 +1    17     6     1
  H     1.11409398 +1  105.3003709 +1   99.4164329 +1    17     6     1
  H     1.10998729 +1  108.7288272 +1 -132.1774272 +1    18     4     1
  H     1.11339296 +1  107.7848034 +1  109.3097169 +1    18     4     1
  H     1.11271497 +1  105.3039084 +1 -111.4966033 +1    24     3     1
  H     1.11268611 +1  106.0657945 +1  130.2384737 +1    24     3     1
  H     1.11722800 +1  108.2920036 +1 -102.0818318 +1    25     8     1
  H     1.11521242 +1  108.7041998 +1  138.7758777 +1    25     8     1
  H     1.10952536 +1  106.7811491 +1  141.4234222 +1    31     2     1
  H     1.11558107 +1  103.6859172 +1   24.3442226 +1    31     2     1