Accuracy

Nd_(YENKOR) r   6628 Neodymium complex, CCDC: YENKOR (Geo)

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    #  Species Formula
  6618 Neodymium complex, CCDC: RIJSEI (Geo)C58H49O5Nd
  6619 Neodymium complex, CCDC: CANBOI (Geo)C39H48N9O6Nd
  6620 Neodymium complex, CCDC: BAFYUD (Geo)C20H18N5O8Nd
  6621 Neodymium complex, CCDC: HEBCIA (Geo)C51H43N6O8Nd
  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


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
Neodymium complex, CCDC: YENKOR
 <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     2.41960021 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.46179990 +1   79.5858522 +1    0.0000000 +0     1     2     0
  O     2.49310009 +1   74.8240567 +1 -103.2484376 +1     1     2     3
  O     2.50110033 +1  118.9315265 +1  -50.8222113 +1     1     2     3
  O     2.50259979 +1  106.0998865 +1  159.9146205 +1     1     2     3
  O     2.50980000 +1   65.9861961 +1   68.2946048 +1     1     2     3
  O     3.43039747 +1  157.2504373 +1   90.3550553 +1     1     2     3
  O     2.21528113 +1   81.1889101 +1  108.3844749 +1     8     1     2
  O     2.18437499 +1  111.2543235 +1  108.1625101 +1     4     1     2
  O     2.17518610 +1  119.6458811 +1  -67.7119644 +1     2     1     3
  N     4.93948303 +1  130.8257249 +1  109.0933173 +1     2     1     3
  N     2.90317071 +1  104.6432332 +1 -178.2910591 +1    12     2     1
  N     4.23625269 +1  103.5182845 +1  -47.1764321 +1    12     2     1
  N     5.23561137 +1  179.9949040 +1   40.0747207 +1     8     1     2
  N     2.84266738 +1   65.5233150 +1  123.8157675 +1    14    12     2
  N     2.87504863 +1  102.7384315 +1   60.3998133 +1    15     8     1
  C     2.40728488 +1   89.2455634 +1   -0.5376660 +1    13    12     2
  C     1.39168659 +1  150.8341464 +1    2.1368771 +1    18    13    12
  C     1.26998637 +1  150.5165371 +1  -66.2507634 +1     2     1     3
  C     1.39086666 +1  119.5625054 +1   -0.8755330 +1    19    18    13
  C     1.39988583 +1  120.7381498 +1    0.8895371 +1    21    19    18
  C     2.38159767 +1  161.1732855 +1   41.9232503 +1     4     1     2
  C     1.39491335 +1  139.9418528 +1   29.2556906 +1    23     4     1
  C     1.39381378 +1  120.0295712 +1 -157.9248780 +1    24    23     4
  C     1.42557477 +1  119.3930358 +1    0.6417799 +1    25    24    23
  C     1.40190726 +1  119.6012502 +1   -1.5869691 +1    26    25    24
  C     1.39052695 +1   97.0604137 +1 -131.9753290 +1    23     4     1
  C     1.26937591 +1   30.1691375 +1 -162.0798669 +1    10     4     1
  C     1.39253627 +1  120.6180286 +1   -0.8765481 +1    22    21    19
  C     1.40497079 +1   30.0584448 +1    0.7758534 +1    18    13    12
  C     2.42335973 +1  140.6281165 +1  102.4132044 +1     8     1     2
  C     1.39419499 +1   97.3838343 +1  179.1900004 +1    32     8     1
  C     1.39955616 +1  119.7554752 +1  178.6864457 +1    33    32     8
  C     1.42415447 +1  119.5393147 +1   -3.0519720 +1    34    33    32
  C     1.39979027 +1  119.6686313 +1    2.9062710 +1    35    34    33
  C     1.38911504 +1  120.0402257 +1   -1.2349121 +1    36    35    34
  C     1.30780639 +1   28.4524023 +1 -174.2366801 +1     9     8     1
  H     1.09671142 +1  119.0704064 +1  179.9856378 +1    22    21    19
  H     1.08639776 +1   89.6883355 +1 -178.4950695 +1    18    13    12
  H     1.09191092 +1  120.7307985 +1  179.4770162 +1    19    18    13
  H     0.98816856 +1  167.7850839 +1 -175.4634936 +1    12     2     1
  H     0.99998261 +1   75.2963299 +1  -21.7364484 +1    12     2     1
  H     0.99195376 +1  178.8452835 +1  -79.9005404 +1    13    12     2
  H     0.98796980 +1   62.8578126 +1 -173.1712304 +1    13    12     2
  H     1.09217251 +1  119.1638987 +1   21.6593362 +1    24    23     4
  H     1.08778582 +1  120.0933528 +1 -179.1227737 +1    27    26    25
  H     1.09356958 +1  119.2600346 +1  -12.7826756 +1    28    23     4
  H     1.00720243 +1  123.7114482 +1  155.4397864 +1    14    12     2
  H     1.00816419 +1  123.5432679 +1  -43.2221683 +1    14    12     2
  H     1.00120307 +1   66.5304476 +1   85.2755207 +1    16    14    12
  H     1.00224616 +1  174.6070764 +1   -4.4776484 +1    16    14    12
  H     1.09080159 +1  120.0524314 +1   -2.3914389 +1    33    32     8
  H     1.08677551 +1  120.1762921 +1  178.1620625 +1    36    35    34
  H     1.09459277 +1  120.3579264 +1  179.5657718 +1    37    36    35
  H     1.00187902 +1   82.1127203 +1 -158.2328321 +1    15     8     1
  H     0.99773458 +1  161.5726476 +1   57.2345611 +1    15     8     1
  H     1.00236223 +1   65.8978201 +1 -147.2025332 +1    17    15     8
  H     0.99913384 +1  174.5333989 +1  -89.1843480 +1    17    15     8
  H     0.93882598 +1  141.1733068 +1 -156.9739230 +1     7     1     2
  H     1.16019402 +1  111.9953448 +1    2.4211187 +1     7     1     2
  H     1.27009097 +1  101.4517060 +1  174.0298268 +1     6     1     2
  H     0.92527228 +1  150.4754432 +1  -14.9322218 +1     6     1     2
  H     1.15758013 +1  108.4883444 +1  -34.6570545 +1     5     1     2
  H     0.94641042 +1  138.6112105 +1 -169.7417454 +1     5     1     2
  H     0.96963774 +1  122.1016584 +1   35.6037769 +1     3     1     2
  H     0.97279031 +1  124.1397046 +1 -116.8793812 +1     3     1     2