Accuracy

Yb_(QALFIS) r   7106 Ytterbium complex, CCDC: QALFIS (Geo)

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    #  Species Formula
  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
  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


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 GNORM=3 LET
Ytterbium complex, CCDC: QALFIS
 <Yb-O2> <Yb-O3> <> <Yb-O4> <> <> <Yb-O5> <> <> <Yb-O6> <> <> <> <> <> <Yb-O8> GR=CCDC
 Yb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.30857251 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.30859996 +1  179.9966086 +1    0.0000000 +0     1     2     0
  O     2.32809979 +1   80.8237940 +1    4.5036681 +1     1     2     3
  O     2.36021207 +1  113.7892009 +1   62.2974845 +1     1     2     3
  O     2.37514535 +1   84.2063359 +1  -75.6030463 +1     1     2     3
  O     2.14649375 +1  138.0573339 +1  173.7408286 +1     6     1     2
  O     2.39538623 +1   93.3575481 +1  178.9228852 +1     1     2     3
  O     3.22965460 +1  159.0440099 +1  -45.1887321 +1     8     1     2
  O     2.55620891 +1  141.0814078 +1  109.3005210 +1     5     1     2
  N     1.30365032 +1  168.3984562 +1  170.1515193 +1     6     1     2
  H     2.20122548 +1  124.0853665 +1  -86.4952114 +1     2     1     3
  N     1.28280323 +1  174.4486825 +1  166.5049904 +1     8     1     2
  N     1.28114114 +1  148.4137467 +1 -132.3819625 +1     5     1     2
  O     1.21521522 +1  116.9713458 +1 -171.7182790 +1    11     6     1
  O     1.31072682 +1  107.4427570 +1  146.7776640 +1    13     8     1
  O     1.27486545 +1  117.9245334 +1 -141.9606888 +1    14     5     1
  H     1.04222257 +1  143.5292555 +1  -46.5801044 +1     4     1     2
  H     1.03880383 +1  126.7141421 +1  173.2483052 +1     2     1     3
  H     0.98895046 +1  114.2172669 +1  121.7038848 +1     4     1     2
  H     0.99266760 +1  115.4309652 +1   54.8031002 +1     3     1     2
  H     0.97702656 +1  135.8443958 +1 -146.6602978 +1     3     1     2
  O     0.97769681 +1  178.1285173 +1  -52.3506232 +1    12     2     1
  C     2.72973156 +1  121.6755717 +1  -99.9968173 +1    19     2     1
  H     1.10770401 +1  140.2476570 +1   76.3221169 +1    24    19     2
  H     1.10565301 +1  104.2603117 +1 -134.0757160 +1    24    19     2
  O     1.41980026 +1   39.2790334 +1  121.3191996 +1    24    19     2
  C     1.42654740 +1  113.6799739 +1  126.9229640 +1    27    24    19
  H     1.10493951 +1  112.0027864 +1  -25.4147085 +1    28    27    24
  H     1.10507771 +1  107.1474006 +1   95.8114108 +1    28    27    24
  O     1.55393965 +1  163.6464422 +1  107.0153278 +1    18     4     1
  C     1.53114540 +1  103.8756479 +1 -144.8438826 +1    28    27    24
  H     1.10464677 +1  112.2863815 +1 -165.9928150 +1    32    28    27
  H     1.10363191 +1  111.5993561 +1  -41.7358744 +1    32    28    27
  C     2.43678184 +1   84.7988920 +1  -41.9490612 +1    23    12     2
  H     1.10299834 +1   84.1976747 +1   72.3506070 +1    35    23    12
  H     1.10461921 +1  140.5953258 +1 -174.0584904 +1    35    23    12
  C     1.41228931 +1  111.0078937 +1  -66.7251554 +1    23    12     2
  H     1.10739752 +1  108.2470428 +1  -77.3470605 +1    38    23    12
  H     1.10644556 +1  103.0491008 +1  166.2629331 +1    38    23    12
  C     1.52853638 +1   72.9307568 +1  -25.3874715 +1    24    19     2
  H     1.11128078 +1  111.4436306 +1   79.8473551 +1    41    24    19
  H     1.10583490 +1  111.5578714 +1 -157.4215834 +1    41    24    19
  O     1.43202909 +1  107.9093779 +1  -43.6231650 +1    41    24    19
  C     1.36096268 +1  116.4193951 +1  116.2354931 +1    44    41    24
  C     1.34010855 +1  110.6278195 +1  -13.8829712 +1    31    18     4
  O     1.42096666 +1  102.7575907 +1   74.0976460 +1    32    28    27
  C     1.45440871 +1  118.4915493 +1 -150.0780741 +1    31    18     4
  C     1.51988821 +1  104.4610440 +1  -18.4882682 +1    48    31    18
  O     1.41770835 +1  104.0236759 +1  -80.4339463 +1    49    48    31
  C     1.41840073 +1  113.2648448 +1  174.6737449 +1    50    49    48
  H     1.12191805 +1  109.5869825 +1   65.3401973 +1    51    50    49
  H     1.13441664 +1  110.5305512 +1  -48.5364755 +1    51    50    49
  C     1.43341641 +1  106.7782448 +1 -170.1060077 +1    51    50    49
  H     1.07751055 +1  122.1076255 +1   18.5151261 +1    54    51    50
  H     1.07552849 +1  121.1401013 +1 -160.1457076 +1    54    51    50
  H     1.10886453 +1  111.2665878 +1   38.1366445 +1    49    48    31
  H     1.10710518 +1  111.9642071 +1  160.3645615 +1    49    48    31
  H     1.10046522 +1  110.8279590 +1  103.4473292 +1    48    31    18
  H     1.10521024 +1  105.2198318 +1 -137.6192844 +1    48    31    18
  H     1.05705788 +1  119.2396747 +1  173.4378511 +1    46    31    18
  H     1.05798583 +1  114.7263891 +1    3.4627198 +1    46    31    18
  H     1.10763325 +1  106.3488920 +1  177.4730449 +1    45    44    41
  H     1.10097590 +1  115.1528908 +1   45.2814406 +1    45    44    41