Accuracy

Nd_(RICNOG) r   6636 Neodymium complex, CCDC: RICNOG (Geo)

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    #  Species Formula
  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
  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


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: RICNOG
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <Nd-O5> <> <> <> <> <> <Nd-O7> <> <> <Nd-O8> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.49379985 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.50359986 +1   98.2700369 +1    0.0000000 +0     1     2     0
  O     2.51710000 +1  109.8179240 +1  145.0128605 +1     1     2     3
  O     2.55149964 +1   65.4939899 +1 -117.6616405 +1     1     2     3
  O     2.15030159 +1  120.5241820 +1    1.4191750 +1     5     1     2
  O     2.56009968 +1  158.6519658 +1  -46.4818560 +1     1     2     3
  O     2.58559959 +1   64.1309234 +1  104.0258370 +1     1     2     3
  O     2.15244277 +1  176.0871610 +1 -155.6062514 +1     7     1     2
  N     2.63453103 +1   90.2329596 +1 -105.1370781 +1     4     1     2
  N     2.58917500 +1   90.4241048 +1  111.7653096 +1     3     1     2
  O     2.15170311 +1  122.2052527 +1   -5.6966773 +1     8     1     2
  N     1.24019343 +1   32.8950948 +1 -173.8006953 +1     6     5     1
  N     1.20486742 +1   31.3592547 +1 -128.7878442 +1     9     7     1
  N     1.22789045 +1   32.1168830 +1  172.6709508 +1    12     8     1
  N     1.37912646 +1   63.9039979 +1  142.2267368 +1    10     4     1
  N     1.37070097 +1   63.9841887 +1  161.1246636 +1    11     3     1
  O     1.20318936 +1  125.1995512 +1  178.6437590 +1    13     6     5
  O     1.24219040 +1  124.1162762 +1 -179.8005193 +1    14     9     7
  O     1.22081198 +1  125.4292599 +1 -178.6974706 +1    15    12     8
  N     2.36834883 +1  137.2904684 +1   23.7171222 +1    16    10     4
  N     2.25858946 +1  158.6102619 +1 -145.7566618 +1     3     1     2
  C     2.49875167 +1  146.9558643 +1   87.4852724 +1    10     4     1
  C     1.39666322 +1  126.2749207 +1  -53.4709273 +1    23    10     4
  C     1.39197761 +1  119.5244915 +1  152.0967680 +1    24    23    10
  C     1.39455955 +1  119.9778189 +1    0.4563128 +1    25    24    23
  C     1.39422274 +1  120.2923357 +1   -0.0803148 +1    26    25    24
  C     1.39566567 +1  108.2281911 +1  101.8228258 +1    23    10     4
  C     2.49979499 +1  151.8878432 +1  112.5783535 +1    11     3     1
  C     1.39703971 +1  107.5842081 +1  -17.7518595 +1    29    11     3
  C     1.39210865 +1  119.5115452 +1  158.3835205 +1    30    29    11
  C     1.39463774 +1  120.0205981 +1   -0.0828255 +1    31    30    29
  C     1.39431117 +1  120.2578430 +1    0.0290509 +1    32    31    30
  C     1.39263560 +1  120.0472510 +1    0.0655576 +1    33    32    31
  C     1.29364533 +1  156.8193286 +1   31.9922136 +1    10     4     1
  C     1.29469264 +1  162.2266969 +1   44.1551592 +1    11     3     1
  C     1.24349683 +1  140.6772254 +1  -65.6859138 +1     4     1     2
  C     1.24674672 +1  144.7958846 +1  149.6885187 +1     3     1     2
  H     1.00824175 +1  118.7641335 +1  116.4058262 +1     2     1     3
  H     1.00721237 +1  152.6863365 +1  -26.5397625 +1    21    16    10
  H     1.00214774 +1   89.6390694 +1  148.7862723 +1    21    16    10
  H     1.05062318 +1  114.9176131 +1 -119.5575202 +1    16    10     4
  H     1.02995511 +1  117.7210671 +1 -143.2254826 +1    17    11     3
  H     1.00823039 +1   89.9405714 +1   75.3118567 +1    22     3     1
  H     1.00082006 +1  150.3045501 +1  -77.8374477 +1    22     3     1
  H     1.09151247 +1  120.0292709 +1  -27.0301094 +1    24    23    10
  H     1.08982050 +1  119.8401272 +1 -179.0565060 +1    25    24    23
  H     1.08959840 +1  119.8355363 +1 -179.8379583 +1    26    25    24
  H     1.08862278 +1  120.1023815 +1  179.9213019 +1    27    26    25
  H     1.09012466 +1  120.0731328 +1   23.1212490 +1    28    23    10
  H     1.09375133 +1  120.2585625 +1  -22.3045105 +1    30    29    11
  H     1.09013184 +1  119.7729849 +1  179.7010211 +1    31    30    29
  H     1.08966091 +1  119.8722231 +1  179.8941382 +1    32    31    30
  H     1.08907719 +1  120.1329810 +1  179.8554291 +1    33    32    31
  H     1.09067113 +1  120.4098985 +1  179.6204926 +1    34    33    32
  H     0.98574426 +1  121.8100676 +1  -99.1515197 +1     2     1     3