Accuracy

Nd_(QOZVIK) r   6632 Neodymium complex, CCDC: QOZVIK (Geo)

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    #  Species Formula
  6622 Neodymium complex, CCDC: XIPKIQ (Geo)C56H53N6O8Nd
  6623 Neodymium complex, CCDC: BUVWOE01 (Geo)H18O9Nd
  6624 Neodymium complex, CCDC: NATPAZ01 (Geo)C12H30O9Nd
  6625 Neodymium complex, CCDC: GUHJAU (Geo)C20H20N7O9Nd
  6626 Neodymium complex, CCDC: DUCMAP (Geo)C13H16N8O9Nd
  6627 Neodymium complex, CCDC: NIPREJ (Geo)C12H30N9O9Nd
  6628 Neodymium complex, CCDC: YENKOR (Geo)C21H29N6O10Nd
  6629 Neodymium complex, CCDC: SUXCAP (Geo)C21H29N10O10Nd
  6630 Neodymium complex, CCDC: ZAMHIE (Geo)C10H18N2O11Nd
  6631 Neodymium complex, CCDC: QAJHEO (Geo)C14H20N3O11Nd
  6632 Neodymium complex, CCDC: QOZVIK (Geo) C12H24N2O12Nd
  6633 Neodymium complex, CCDC: QOZWIL (Geo)C12H24N2O12Nd
  6634 Neodymium complex, CCDC: OBELUC (Geo)C21H9N3O12Nd
  6635 Neodymium complex, CCDC: TUPYOS (Geo)C30H57N6O12Nd
  6636 Neodymium complex, CCDC: RICNOG (Geo)C16H18N9O12Nd
  6637 Neodymium complex, CCDC: ANTNND10 (Geo)C33H36N9O12Nd
  6638 Neodymium complex, CCDC: CAHJAX (Geo)C6H24O13Nd
  6639 Neodymium complex, CCDC: FUCRAW (Geo)H8N3O13Nd
  6640 Neodymium complex, CCDC: SOKBAV (Geo)C12H16N3O13Nd
  6641 Neodymium complex, CCDC: SOTXEE (Geo)C3H13N4O13Nd
  6642 Neodymium complex, CCDC: RIMQIN (Geo)C17H22N5O13Nd


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=+1
Neodymium complex, CCDC: QOZVIK
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <Nd-O6> <> <> <Nd-O7> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.46260000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46380019 +1  107.9029351 +1    0.0000000 +0     1     2     0
  O     2.47240011 +1  173.1330987 +1  101.8870878 +1     1     2     3
  O     2.47549978 +1   74.1653976 +1 -126.7253591 +1     1     2     3
  O     2.47860048 +1   74.7431399 +1  160.8113365 +1     1     2     3
  O     2.50749962 +1   99.9031476 +1   71.3261759 +1     1     2     3
  O     3.38221779 +1  125.5877271 +1 -122.7818940 +1     1     2     3
  O     2.17864356 +1  100.0503225 +1 -170.0774086 +1     8     1     2
  O     3.46085097 +1   58.3921384 +1   -9.2875967 +1     1     2     3
  O     2.17702749 +1   98.9833660 +1    5.0348301 +1    10     1     2
  N     1.32489497 +1   30.9439449 +1  176.5137678 +1     9     8     1
  O     2.17190858 +1  158.3291402 +1   17.0553258 +1    10     1     2
  N     1.19680492 +1   27.6585591 +1  -14.1848262 +1    13    10     1
  O     1.19668184 +1  118.6364671 +1 -179.3759390 +1    12     9     8
  H     0.97898788 +1  123.1650383 +1   19.3737445 +1     7     1     2
  H     1.37694837 +1  122.0081287 +1    4.1298863 +1     2     1     3
  H     0.97939252 +1  123.1271544 +1 -156.9604413 +1     6     1     2
  H     0.99635729 +1  117.1864512 +1  170.6319982 +1     5     1     2
  H     0.99706126 +1  116.9672994 +1  -16.1964710 +1     3     1     2
  H     1.36288237 +1  120.5957868 +1  133.9763288 +1     4     1     2
  C     1.38313607 +1  127.7936594 +1  162.8085480 +1     2     1     3
  H     1.11808512 +1  106.7222546 +1  179.5777237 +1    22     2     1
  C     1.54722789 +1  109.0887837 +1   61.6422608 +1    22     2     1
  H     1.11070759 +1  108.8098231 +1  158.7504586 +1    24    22     2
  H     1.11151924 +1  107.7327008 +1   45.5066377 +1    24    22     2
  C     1.49325494 +1  128.0219461 +1   32.9326136 +1     6     1     2
  H     1.11487921 +1  103.7417924 +1 -173.8942871 +1    27     6     1
  C     1.52128103 +1  106.5720213 +1   68.1324539 +1    27     6     1
  H     1.11307353 +1  110.0883822 +1   49.8913233 +1    29    27     6
  H     1.11420308 +1  108.9810049 +1  164.1630667 +1    29    27     6
  C     1.46851765 +1  129.4909149 +1  -32.9759383 +1     5     1     2
  H     1.11581896 +1  104.6135991 +1  173.8400718 +1    32     5     1
  C     1.51798588 +1  107.4520152 +1   55.2920799 +1    32     5     1
  H     1.10961858 +1  109.0744073 +1  164.5042527 +1    34    32     5
  H     1.11367156 +1  109.7280914 +1   50.0616003 +1    34    32     5
  C     1.47084182 +1  130.2361686 +1  140.0394652 +1     3     1     2
  H     1.11622451 +1  104.4322009 +1  174.0020222 +1    37     3     1
  C     1.51717180 +1  107.5361594 +1   55.4916150 +1    37     3     1
  H     1.11361095 +1  109.7637462 +1   50.3141404 +1    39    37     3
  H     1.10956041 +1  109.1278919 +1  164.8460152 +1    39    37     3
  C     1.38322774 +1  128.3036705 +1  -67.8862315 +1     4     1     2
  H     1.11803308 +1  106.7651841 +1  179.6198748 +1    42     4     1
  C     1.54651500 +1  109.0501240 +1   61.6414307 +1    42     4     1
  H     1.11060475 +1  108.8094019 +1  158.8475325 +1    44    42     4
  H     1.11171216 +1  107.7248986 +1   45.5829277 +1    44    42     4
  C     1.48837254 +1  127.6814841 +1 -150.3795822 +1     7     1     2
  H     1.11509768 +1  103.9897026 +1 -174.4395453 +1    47     7     1
  C     1.52196548 +1  106.5928607 +1   67.5887283 +1    47     7     1
  H     1.11422251 +1  108.9724049 +1  163.7675473 +1    49    47     7
  H     1.11297332 +1  110.0483957 +1   49.5001333 +1    49    47     7