Accuracy

Yb_(DIBKUU) r   7112 Ytterbium complex, CCDC: DIBKUU (Geo)

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    #  Species Formula
  7102 Ytterbium complex, CCDC: KOLGIB (Geo)C14H20N3O11Yb
  7103 Ytterbium complex, CCDC: METSAF (Geo)C19H22N9O11Yb
  7104 Ytterbium complex, CCDC: POHFAT (Geo)C8H16N3O13Yb
  7105 Ytterbium complex, CCDC: WATZEW (Geo)C22H44N7O13Yb
  7106 Ytterbium complex, CCDC: QALFIS (Geo)C12H30N3O18Yb
  7107 Ytterbium complex, CCDC: ZALFAT (Geo)C44H68N5O2Si2Yb
  7108 Ytterbium complex, CCDC: OFOPII (Geo)C45H54N3O3Si3Yb
  7109 Ytterbium complex, CCDC: OFOPOO (Geo)C45H54N3O3Si3Yb
  7110 Ytterbium complex, CCDC: HOJFAN (Geo)C21H63N3OSi7Yb
  7111 Ytterbium complex, CCDC: RAMXEI (Geo)C15H27N4O12P2Yb
  7112 Ytterbium complex, CCDC: DIBKUU (Geo) C15H36N8O3F3SYb
  7113 Ytterbium complex, CCDC: GAKYUM (Geo)C14H26O12S2Yb
  7114 Ytterbium complex, CCDC: DIYNOO (Geo)C20H26O12S2Yb
  7115 Ytterbium complex, CCDC: TEBHUD (Geo)C15H26N5O4S3Yb
  7116 Ytterbium complex, CCDC: NENTOP (Geo)C11H21N4O11BrYb
  7117 Ytterbium complex, CCDC: EBUWAZ (Geo)C64H102O8Yb2
  7118 Ytterbium complex, CCDC: BEQTAS (Geo)C48H46N4O12Yb2
  7119 Ytterbium complex, CCDC: NIJFER (Geo)C42H34N8O14Yb2
  7120 Ytterbium complex, CCDC: YENRAK (Geo)C42H44N6O16Yb2
  7121 Ytterbium complex, CCDC: HOYKIP (Geo)C60H80N8O12P6Yb2
  7122 Ytterbium complex, CCDC: XEWZOO (Geo)C24H36O18Cl18Yb2


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=2.0
Ytterbium complex, CCDC: DIBKUU
 <Yb-O2> <Yb-N3> <> <Yb-N4> <> <> <Yb-N5> <> <> <Yb-N6> <> <> <Yb-N7> GR=CCDC
 Yb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.39040254 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.44190044 +1   71.7558654 +1    0.0000000 +0     1     2     0
  N     2.45289943 +1   71.1175384 +1   94.9784688 +1     1     2     3
  N     2.46787580 +1  163.4351417 +1  165.9139695 +1     1     2     3
  N     2.47475367 +1   93.7832451 +1 -145.1202817 +1     1     2     3
  N     2.55990042 +1  113.6239382 +1  -59.4633230 +1     1     2     3
  N     2.39578593 +1   80.3452739 +1   54.4344978 +1     6     1     2
  N     3.10078118 +1  100.3859826 +1  150.6323688 +1     1     2     3
  N     2.39488668 +1   82.2391884 +1 -155.3143677 +1     5     1     2
  S     1.55951670 +1  154.6310223 +1   58.1942688 +1     2     1     3
  F     2.73317272 +1  122.4482001 +1  177.5177653 +1    11     2     1
  F     2.11663147 +1   65.2555577 +1   34.9937964 +1    12    11     2
  F     2.10144446 +1   60.2624055 +1  -74.6901382 +1    13    12    11
  O     1.44289005 +1  106.1386492 +1  -67.3541113 +1    11     2     1
  O     1.44479963 +1  108.6613217 +1   64.5451805 +1    11     2     1
  C     1.52262231 +1  108.4142926 +1   42.7039641 +1     7     1     2
  C     1.51340797 +1  115.7154884 +1 -134.5070861 +1     3     1     2
  C     1.53343267 +1  117.2942411 +1  164.9401681 +1     7     1     2
  C     1.48142497 +1  106.8629949 +1  -95.6813015 +1    10     5     1
  C     1.54229439 +1  115.3453155 +1  -75.1859394 +1     7     1     2
  C     1.46364510 +1  110.2846321 +1   99.0189202 +1     8     6     1
  C     1.48889474 +1  107.2571688 +1  -54.3957067 +1     9     1     2
  C     1.52052687 +1  122.1514161 +1  138.3337162 +1     4     1     2
  C     1.47870669 +1  107.7356321 +1 -174.1575668 +1     9     1     2
  C     1.52994913 +1  124.0959694 +1   -2.5612322 +1     5     1     2
  C     1.48205193 +1  102.8761183 +1   63.3008168 +1     9     1     2
  C     1.52784354 +1  125.3714276 +1  -96.0809394 +1     6     1     2
  C     1.47260598 +1   38.2410955 +1  153.2570521 +1    10     5     1
  C     1.45657823 +1   38.9422194 +1 -151.4004704 +1     8     6     1
  C     1.33321732 +1   38.0053238 +1   40.3717194 +1    14    13    12
  H     1.03526461 +1  116.8680142 +1   98.1657289 +1     3     1     2
  H     1.06162744 +1  107.2075938 +1  -14.8433979 +1     3     1     2
  H     1.05115147 +1  101.9854519 +1   19.5020552 +1     4     1     2
  H     1.03589496 +1  114.9791525 +1  -90.3147829 +1     4     1     2
  H     1.03140897 +1  140.9580206 +1  104.7383339 +1    10     5     1
  H     1.04603348 +1  135.6966858 +1  -86.7878707 +1     8     6     1
  H     1.05040063 +1  100.3279273 +1  111.0633413 +1     5     1     2
  H     1.04183991 +1  101.8576513 +1  147.2824944 +1     6     1     2
  H     1.11873709 +1  108.2334549 +1  -76.7231944 +1    17     7     1
  H     1.11297011 +1  111.6750013 +1  167.2180997 +1    17     7     1
  H     1.10957268 +1  108.9758941 +1  -86.0860955 +1    18     3     1
  H     1.11816411 +1  111.0614191 +1  157.3125811 +1    18     3     1
  H     1.12169798 +1  109.6375980 +1 -171.7278291 +1    19     7     1
  H     1.11299815 +1  107.7541391 +1   74.7454338 +1    19     7     1
  H     1.12057566 +1  111.9251108 +1  -96.2489888 +1    20    10     5
  H     1.11923861 +1  107.0971581 +1  149.1109015 +1    20    10     5
  H     1.10850019 +1  107.1414430 +1  -65.8677804 +1    21     7     1
  H     1.11812202 +1  109.9052755 +1  179.4106401 +1    21     7     1
  H     1.11867106 +1  108.3296980 +1 -159.7262132 +1    22     8     6
  H     1.11900960 +1  113.1490737 +1   84.3099035 +1    22     8     6
  H     1.11473496 +1  113.0012263 +1 -157.7931183 +1    23     9     1
  H     1.11609175 +1  110.1661756 +1   84.7563813 +1    23     9     1
  H     1.11573465 +1  110.6803253 +1 -178.7622008 +1    24     4     1
  H     1.10913856 +1  107.9321154 +1   64.7900305 +1    24     4     1
  H     1.11879727 +1  112.3737225 +1 -153.8015313 +1    25     9     1
  H     1.11525795 +1  109.4941206 +1   89.3707464 +1    25     9     1
  H     1.11302194 +1  107.3257282 +1   82.9566659 +1    26     5     1
  H     1.11630004 +1  110.4468658 +1 -162.6677042 +1    26     5     1
  H     1.11930781 +1  108.2429098 +1  -75.1928853 +1    27     9     1
  H     1.11701449 +1  112.5521656 +1  168.0953755 +1    27     9     1
  H     1.11813043 +1  110.3794529 +1  141.3516299 +1    28     6     1
  H     1.11185729 +1  108.5587424 +1 -103.7776936 +1    28     6     1
  H     1.11762448 +1  109.7109066 +1 -116.3910341 +1    29    10     5
  H     1.11512985 +1  114.3244106 +1  121.3421124 +1    29    10     5
  H     1.11116283 +1  115.1769667 +1 -120.4928154 +1    30     8     6
  H     1.12222001 +1  109.4857435 +1  115.2926072 +1    30     8     6