Accuracy

Nd_(BEXQIE) r   6649 Neodymium complex, CCDC: BEXQIE (Geo)

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    #  Species Formula
  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
  6643 Neodymium complex, CCDC: FIBXET (Geo)C2H12N7O13Nd
  6644 Neodymium complex, CCDC: SUCRIR (Geo)C12H16N7O13Nd
  6645 Neodymium complex, CCDC: BAWDIM10 (Geo)C8H18N3O14Nd
  6646 Neodymium complex, CCDC: RUGRAM (Geo)C8H18N3O14Nd
  6647 Neodymium complex, CCDC: FUHQII (Geo)C12H12O15Nd
  6648 Neodymium complex, CCDC: HOXNND01 (Geo)C12H24N3O15Nd
  6649 Neodymium complex, CCDC: BEXQIE (Geo) H2N5O16Nd
  6650 Neodymium complex, CCDC: YURMUT (Geo)C22H28N5O16Nd
  6651 Neodymium complex, CCDC: LEJSUO (Geo)C12H16N6O20Nd
  6652 Neodymium complex, CCDC: YOGRIV (Geo)C31H50N3OSi3Nd
  6653 Neodymium complex, CCDC: OFONIG (Geo)C30H48N3O3Si3Nd
  6654 Neodymium complex, CCDC: OFONUS (Geo)C45H54N3O3Si3Nd
  6655 Neodymium complex, CCDC: WOFMOT (Geo)C36H69Si6Nd
  6656 Neodymium complex, CCDC: IMACAA (Geo)C31H71OSi6Nd
  6657 Neodymium complex, CCDC: YIBSIL (Geo)C20H58N3O2Si6Nd
  6658 Neodymium complex, CCDC: RAMXAE (Geo)C33H31N4O12P2Nd
  6659 Neodymium complex, CCDC: DODVAT (Geo)C36H44N5O13P2Nd


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
Neodymium complex, CCDC: BEXQIE
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <Nd-O6> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.53849962 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.55110036 +1   99.2169406 +1    0.0000000 +0     1     2     0
  O     2.55117439 +1   58.9508861 +1  -86.5960716 +1     1     2     3
  O     2.55620028 +1   98.9960291 +1 -173.7315612 +1     1     2     3
  O     2.55700000 +1   62.4704994 +1   97.1167877 +1     1     2     3
  O     2.14767643 +1  168.4704309 +1 -168.8378620 +1     6     1     2
  O     2.15054797 +1  164.2328381 +1 -166.2232035 +1     5     1     2
  O     2.15558859 +1  148.4981491 +1 -166.4441421 +1     4     1     2
  O     3.22355378 +1  168.6633262 +1  -83.1730219 +1     1     2     3
  O     2.13842331 +1   97.8961218 +1  179.2811946 +1    10     1     2
  O     2.15058815 +1  147.6539438 +1  -71.3238919 +1     3     1     2
  N     1.21509500 +1   31.8072583 +1  174.0510792 +1     7     6     1
  N     1.21851719 +1   32.0295791 +1  166.3799968 +1     8     5     1
  N     1.29150567 +1  177.9662785 +1 -153.0885474 +1     4     1     2
  N     1.29101852 +1  177.7810222 +1  -69.6081578 +1     3     1     2
  N     1.26205572 +1  128.8939350 +1  179.7378532 +1    10     1     2
  O     1.22624789 +1  116.1810278 +1  162.4806978 +1    15     4     1
  O     1.22676258 +1  120.4967697 +1  177.8384825 +1    17    10     1
  O     1.23169040 +1  124.7012171 +1 -178.7651743 +1    13     7     6
  O     1.22264477 +1  124.6655631 +1 -179.6621794 +1    14     8     5
  O     1.21957881 +1  117.4983235 +1  177.0355459 +1    16     3     1
  H     0.96828719 +1  129.4187670 +1 -101.8615231 +1     2     1     3
  H     0.97789514 +1  116.1882333 +1   91.0500946 +1     2     1     3