Accuracy

Yb_(BUVYEW01) r   7093 Ytterbium complex, CCDC: BUVYEW01 (Geo)

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    #  Species Formula
  7083 Ytterbium complex, CCDC: JEMROI (Geo)C62H55O5Yb
  7084 Ytterbium complex, CCDC: QAXYAP (Geo)C28H28N5O5Yb
  7085 Ytterbium complex, CCDC: XOHVEV (Geo)C16H34N8O5Yb
  7086 Ytterbium complex, CCDC: FEBGAU (Geo)C15H21O6Yb
  7087 Ytterbium complex, CCDC: XEWVUQ (Geo)C10H20N2O6Yb
  7088 Ytterbium complex, CCDC: ECOJAH (Geo)C41H58N7O6Yb
  7089 Ytterbium complex, CCDC: VELSAG (Geo)C16H31N2O7Yb
  7090 Ytterbium complex, CCDC: QAKXIJ (Geo)C24H50N6O7Yb
  7091 Ytterbium complex, CCDC: EFIZUO (Geo)C15H15N5O8Yb
  7092 Ytterbium complex, CCDC: FONQUU01 (Geo)C20H18N5O8Yb
  7093 Ytterbium complex, CCDC: BUVYEW01 (Geo) H18O9Yb
  7094 Ytterbium complex, CCDC: KITHEA (Geo)C8H26O9Yb
  7095 Ytterbium complex, CCDC: HANDAB (Geo)C10H28O9Yb
  7096 Ytterbium complex, CCDC: CAQGAC (Geo)C11H11N10O9Yb
  7097 Ytterbium complex, CCDC: QOZVUW (Geo)C12H26NO10Yb
  7098 Ytterbium complex, CCDC: CETAYB (Geo)C10H16N2O10Yb
  7099 Ytterbium complex, CCDC: ROGRIO (Geo)C10H16N2O10Yb
  7100 Ytterbium complex, CCDC: LOEAYB10 (Geo)C12H18N2O10Yb
  7101 Ytterbium complex, CCDC: GEIAYB10 (Geo)C12H20N2O11Yb
  7102 Ytterbium complex, CCDC: KOLGIB (Geo)C14H20N3O11Yb
  7103 Ytterbium complex, CCDC: METSAF (Geo)C19H22N9O11Yb


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
Ytterbium complex, CCDC: BUVYEW01
 <Yb-O2> <Yb-O3> <> <Yb-O4> <> <> <Yb-O5> <> <> <Yb-O*> <> <> <Yb-O6> GR=CCDC
 Yb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.30130033 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.30139930 +1   71.4880253 +1    0.0000000 +0     1     2     0
  O     2.30179981 +1   94.9744424 +1 -165.7132286 +1     1     2     3
  O     2.30190562 +1   99.3711675 +1  -93.8003277 +1     1     2     3
  O     2.30230030 +1   85.6002829 +1  103.0777386 +1     1     2     3
  O     2.30239998 +1  157.0089099 +1   50.4614133 +1     1     2     3
  O     4.17435418 +1   98.3368528 +1 -130.0302611 +1     1     2     3
  O     4.32669231 +1  171.3992158 +1  157.3842089 +1     1     2     3
  O     4.16855760 +1   35.9123266 +1    1.0771047 +1     1     2     3
  H     0.98293387 +1  128.1880179 +1 -175.4173082 +1     8     1     2
  H     1.03755125 +1  124.8471760 +1  -91.3215787 +1     5     1     2
  H     0.99745216 +1  134.8849405 +1   88.5094865 +1     5     1     2
  H     0.98366950 +1  127.4116016 +1    3.4964548 +1     8     1     2
  H     0.98647205 +1  122.8969331 +1  159.8603398 +1     9     1     2
  H     0.98682000 +1  125.7199218 +1  -53.1583352 +1     9     1     2
  H     0.98425651 +1  128.0872203 +1  -89.3775262 +1    10     1     2
  H     0.98415077 +1  127.5860509 +1   91.7621248 +1    10     1     2
  H     1.16498298 +1  130.4119794 +1  161.4623734 +1     7     1     2
  H     0.97499428 +1  132.0419191 +1  -21.9628004 +1     7     1     2
  H     1.04229651 +1  124.8110986 +1    1.0164760 +1     3     1     2
  H     0.99745998 +1  135.2220292 +1 -179.9957388 +1     3     1     2
  H     1.04006733 +1  124.7569761 +1   97.2778251 +1     4     1     2
  H     0.99760804 +1  135.1349767 +1  -85.1717486 +1     4     1     2
  H     1.00617895 +1  127.9848844 +1 -169.4883822 +1     6     1     2
  H     1.00637846 +1  132.2057771 +1    7.6027297 +1     6     1     2
  H     1.03930746 +1  124.5736382 +1   -1.9461461 +1     2     1     3
  H     0.99756897 +1  135.1971134 +1  172.6464626 +1     2     1     3