Accuracy

Sm_(BUVWUK01) r   6702 Samarium complex, CCDC: BUVWUK01 (Geo)

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    #  Species Formula
  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
  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


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
Samarium complex, CCDC: BUVWUK01
 <Sm-O2> <Sm-O3> <> <Sm-O4> <> <> <Sm-O5> <> <> <Sm-O*> <> <> <Sm-O6> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.42101143 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.42119950 +1   82.3906765 +1    0.0000000 +0     1     2     0
  O     2.42160038 +1   91.2519204 +1  -93.5619996 +1     1     2     3
  O     2.42170013 +1   79.9914163 +1  101.4719317 +1     1     2     3
  O     2.42199983 +1  162.8919821 +1   33.4223381 +1     1     2     3
  O     2.42230063 +1   95.9599463 +1 -163.5456192 +1     1     2     3
  O     4.41587503 +1   85.0858888 +1   74.9000971 +1     1     2     3
  O     4.26636221 +1   94.6701840 +1 -128.4280572 +1     1     2     3
  O     4.43419986 +1  160.4916481 +1  -59.6028399 +1     1     2     3
  H     0.98298146 +1  127.5747682 +1    5.1712902 +1     8     1     2
  H     1.00142015 +1  127.5006727 +1  -92.6457240 +1     2     1     3
  H     1.00163340 +1  132.2562792 +1   93.0788201 +1     2     1     3
  H     0.98231031 +1  123.6361214 +1  158.4511471 +1     8     1     2
  H     0.98285835 +1  128.5124053 +1   -3.3264103 +1     9     1     2
  H     0.98196494 +1  127.0730075 +1  176.8986022 +1     9     1     2
  H     0.98155917 +1  126.1360020 +1   62.0726109 +1    10     1     2
  H     0.98148432 +1  124.7798268 +1 -144.6702330 +1    10     1     2
  H     1.03033198 +1  123.6677201 +1  -96.8040157 +1     4     1     2
  H     0.99319089 +1  135.6539986 +1   87.5353627 +1     4     1     2
  H     1.00129630 +1  128.6915571 +1  174.5604441 +1     3     1     2
  H     1.00165436 +1  131.2693935 +1   -2.8036059 +1     3     1     2
  H     1.12589527 +1  129.4512403 +1  -99.1588898 +1     5     1     2
  H     0.97554684 +1  132.1261417 +1   84.5332499 +1     5     1     2
  H     1.02943341 +1  124.0607718 +1   89.3305669 +1     7     1     2
  H     0.99324201 +1  135.3379389 +1  -90.7515501 +1     7     1     2
  H     1.11993012 +1  130.1467176 +1 -131.1865447 +1     6     1     2
  H     0.97493628 +1  130.8801620 +1   53.6641682 +1     6     1     2