Accuracy

Sm_(ECABIT) r   6708 Samarium complex, CCDC: ECABIT (Geo)

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    #  Species Formula
  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
  6708 Samarium complex, CCDC: ECABIT (Geo) C24H16N7O9Sm
  6709 Samarium complex, CCDC: DUCHEO (Geo)C13H10N9O10Sm
  6710 Samarium complex, CCDC: KIWROX (Geo)C18H14N9O10Sm
  6711 Samarium complex, CCDC: NSMEDT01 (Geo)C10H18N2O11Sm
  6712 Samarium complex, CCDC: QALFAK (Geo)H6N3O12Sm
  6713 Samarium complex, CCDC: MOXJEO (Geo)C30H57N6O12Sm
  6714 Samarium complex, CCDC: JIZVOD (Geo)C15H11N7O12Sm
  6715 Samarium complex, CCDC: FUHQOO (Geo)C12H12O15Sm
  6716 Samarium complex, CCDC: XOWGAR (Geo)C38H30N11O25Sm
  6717 Samarium complex, CCDC: FINDOV (Geo)C30H27N3O3F15Sm
  6718 Samarium complex, CCDC: XIVFIR (Geo)C27H19N3O7F18Sm


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: ECABIT
 <Sm-O2> <Sm-O3> <> <Sm-O4> <> <> <> <> <> <> <> <> <> <> <> <Sm-N8> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.50710015 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.50719978 +1  124.9494926 +1    0.0000000 +0     1     2     0
  O     2.50950000 +1  104.9283755 +1  107.0691499 +1     1     2     3
  O     2.15026882 +1  150.1059282 +1  -27.7406468 +1     4     1     2
  O     2.14195516 +1  115.1159375 +1 -173.4589465 +1     3     1     2
  O     2.14359236 +1  128.8181274 +1  109.2696113 +1     2     1     3
  N     2.55140012 +1  130.8853477 +1 -170.2931708 +1     1     2     3
  N     3.48659947 +1   74.1959392 +1  -81.8435649 +1     1     2     3
  N     3.17298584 +1   79.4494844 +1 -140.6487621 +1     1     2     3
  N     3.44356025 +1  121.3734921 +1  -89.9130909 +1     1     2     3
  N     1.30891580 +1  179.9941236 +1  -67.1496067 +1     4     1     2
  N     1.22771394 +1   33.2674245 +1  166.0866695 +1     7     2     1
  N     1.22849095 +1   33.4204434 +1  177.8036838 +1     6     3     1
  O     1.21911659 +1  115.4483069 +1 -140.8020884 +1    12     4     1
  O     1.20358555 +1  126.2049785 +1 -179.8971579 +1    13     7     2
  C     1.33178129 +1  115.9253906 +1 -175.8675153 +1    11     1     2
  C     1.41439242 +1  123.0016738 +1  160.1926537 +1    17    11     1
  C     1.37626235 +1  118.5548368 +1   -1.4816297 +1    18    17    11
  C     1.41475586 +1  119.4625332 +1    2.5973153 +1    19    18    17
  C     1.36567739 +1  122.7271368 +1  -13.7754620 +1    11     1     2
  C     1.43355481 +1  121.3596817 +1  179.8080042 +1    20    19    18
  C     1.35648804 +1  120.6579703 +1 -175.3181004 +1    22    20    19
  C     1.43394387 +1  120.7520231 +1   -0.1990355 +1    23    22    20
  C     1.39386425 +1  128.1865259 +1   53.7107454 +1     8     1     2
  C     1.41502354 +1  121.1816522 +1  176.6020290 +1    24    23    22
  C     1.37538284 +1  119.4561547 +1 -179.6279426 +1    26    24    23
  C     1.35174506 +1  115.3406881 +1 -134.4040380 +1     8     1     2
  C     1.36749400 +1  120.7830382 +1 -145.9920521 +1     9     1     2
  C     1.32949644 +1  129.7345081 +1   24.9716301 +1    10     1     2
  C     1.41721099 +1  122.5755068 +1  159.3147091 +1    30    10     1
  C     1.37447580 +1  118.5510273 +1    0.0760624 +1    31    30    10
  C     1.41784082 +1  119.6631255 +1    1.6629837 +1    32    31    30
  C     1.36824787 +1  108.4160612 +1 -172.2482851 +1    10     1     2
  C     1.41002544 +1  124.6066296 +1 -168.0820647 +1    28     8     1
  C     1.37177614 +1  118.8236573 +1    1.4194786 +1    35    28     8
  C     1.41672180 +1  118.8841696 +1   -3.7952642 +1    36    35    28
  C     1.43384671 +1  119.6758358 +1 -179.5137574 +1    37    36    35
  C     1.35673686 +1  121.0278474 +1  175.2718603 +1    38    37    36
  C     1.33223653 +1  116.3936026 +1   11.0781100 +1     9     1     2
  O     1.20371505 +1  126.2825585 +1 -179.8677977 +1    14     6     3
  H     1.10365686 +1  116.3863418 +1   22.6789569 +1    40     9     1
  H     1.09287647 +1  121.1809243 +1 -178.7823312 +1    32    31    30
  H     1.08931037 +1  119.6086029 +1 -179.3739682 +1    31    30    10
  H     1.11852186 +1  117.2983880 +1   12.1928834 +1    28     8     1
  H     1.08940445 +1  121.9401622 +1  179.6722334 +1    27    26    24
  H     1.09162451 +1  119.4097286 +1    0.1540558 +1    26    24    23
  H     1.09176415 +1  121.4066165 +1  179.1909618 +1    23    22    20
  H     1.09158422 +1  117.9506293 +1    3.9293959 +1    22    20    19
  H     1.10652490 +1  116.1751972 +1  -20.4381527 +1    17    11     1
  H     1.08860220 +1  119.6646177 +1  178.4626129 +1    18    17    11
  H     1.09165359 +1  121.2372543 +1 -177.8536204 +1    19    18    17
  H     1.10916971 +1  116.2621081 +1  -20.3191444 +1    30    10     1
  H     1.09204887 +1  121.5251419 +1  179.4542012 +1    39    38    37
  H     1.09291529 +1  117.8729351 +1   -4.6716560 +1    38    37    36
  H     1.09310063 +1  121.3996325 +1  177.1743388 +1    36    35    28
  H     1.09280691 +1  119.0803001 +1 -179.2427801 +1    35    28     8