Accuracy

Nd_(RAMXAE) r   6658 Neodymium complex, CCDC: RAMXAE (Geo)

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    #  Species Formula
  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
  6660 Neodymium complex, CCDC: HERWAC (Geo)C18H42N5O18P2Nd
  6661 Neodymium complex, CCDC: JACPIM (Geo)C36H78O3P3Nd
  6662 Neodymium complex, CCDC: QUBWOZ (Geo)C12H32N3O23P4Nd
  6663 Neodymium complex, CCDC: AGUFOX (Geo)C72H60N3P6Nd
  6664 Neodymium complex, CCDC: HODDEJ (Geo)C39H31OSNd
  6665 Neodymium complex, CCDC: TAZYOI (Geo)C7H20NO11SNd
  6666 Neodymium complex, CCDC: MOCFAL (Geo)C29H32NOS2Nd
  6667 Neodymium complex, CCDC: QOZWAD (Geo)C14H26O13F6S2Nd
  6668 Neodymium complex, CCDC: MINLIE (Geo)C74H60O10F6P4S2Nd


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: RAMXAE
 <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     2.37816204 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.38220037 +1   63.8194495 +1    0.0000000 +0     1     2     0
  O     2.39039377 +1   97.2077359 +1   54.7483183 +1     1     2     3
  O     2.45309956 +1   87.9899855 +1  143.7736749 +1     1     2     3
  O     2.14406828 +1  148.5475156 +1  161.0168426 +1     5     1     2
  O     2.53589988 +1  164.1912464 +1  -45.3787416 +1     1     2     3
  O     2.56119988 +1   73.8251411 +1  -99.2296797 +1     1     2     3
  O     2.15625076 +1  121.9307525 +1   47.7312117 +1     8     1     2
  O     2.15074030 +1  124.3625616 +1   95.4578958 +1     7     1     2
  N     1.29604935 +1  178.8006951 +1  177.8563138 +1     5     1     2
  N     1.22840334 +1   32.4755273 +1 -175.5489995 +1    10     7     1
  N     1.22763020 +1   31.6518677 +1 -134.4912019 +1     9     8     1
  N     1.28148766 +1  144.3994888 +1   55.7303305 +1     3     1     2
  O     1.21996507 +1  117.0966528 +1  161.7512057 +1    11     5     1
  O     1.21063669 +1  124.7513298 +1  179.7787242 +1    12    10     7
  O     1.22180619 +1  123.3174331 +1  178.0140570 +1    13     9     8
  P     1.71753498 +1  170.1498242 +1   28.4669140 +1     2     1     3
  P     1.71106791 +1  171.0267737 +1  -90.0112925 +1     4     1     2
  C     1.37910732 +1  119.6395212 +1   92.7789206 +1    14     3     1
  C     1.40136104 +1  119.4953263 +1  177.3849628 +1    20    14     3
  H     1.09197837 +1  119.3270626 +1  179.7720006 +1    21    20    14
  C     1.38691913 +1  121.2226778 +1   -0.2491505 +1    21    20    14
  H     1.09000715 +1  120.8897665 +1  179.4111968 +1    23    21    20
  C     1.38718542 +1  118.2522030 +1   -0.7375826 +1    23    21    20
  H     1.09287298 +1  119.3777950 +1 -178.7511249 +1    25    23    21
  C     1.38149628 +1  119.9147391 +1  -90.5911608 +1    14     3     1
  C     1.51409706 +1  123.8946529 +1   -0.8749625 +1    20    14     3
  H     1.12278669 +1  110.7801421 +1  152.5760162 +1    28    20    14
  H     1.15103854 +1  109.3692480 +1   36.0202102 +1    28    20    14
  C     1.51173411 +1  124.2096353 +1    2.0642994 +1    27    14     3
  H     1.16391441 +1  109.5508618 +1  -35.6730188 +1    31    27    14
  H     1.12294021 +1  111.0050540 +1 -151.4676115 +1    31    27    14
  C     1.77519456 +1  103.8035975 +1  133.2657099 +1    19     4     1
  C     1.41019432 +1  116.4733560 +1   32.2264475 +1    34    19     4
  H     1.10800907 +1  123.0260241 +1   -0.7625534 +1    35    34    19
  C     1.39557016 +1  119.3022045 +1  179.8156444 +1    35    34    19
  H     1.09257053 +1  118.9054709 +1 -179.4241153 +1    37    35    34
  C     1.38890635 +1  120.5029052 +1    0.7266465 +1    37    35    34
  H     1.08993151 +1  120.1228267 +1  179.8879388 +1    39    37    35
  C     1.39554314 +1  120.0957223 +1   -0.2340338 +1    39    37    35
  H     1.08821148 +1  119.7254524 +1  179.6760822 +1    41    39    37
  C     1.39146182 +1  120.6654140 +1   -0.4827204 +1    41    39    37
  H     1.09271433 +1  117.7462590 +1 -179.2037698 +1    43    41    39
  C     1.79676047 +1  105.8770811 +1 -103.0716931 +1    19     4     1
  H     1.15669824 +1  108.2440826 +1   48.1062950 +1    45    19     4
  H     1.12787800 +1  112.8306677 +1  164.9213293 +1    45    19     4
  C     1.52007925 +1  109.8555958 +1  -70.4469834 +1    45    19     4
  C     1.39764799 +1  120.5053572 +1  -92.1554631 +1    48    45    19
  H     1.08618079 +1  120.7459895 +1   -2.6380170 +1    49    48    45
  C     1.39255352 +1  119.7077205 +1  176.8808895 +1    49    48    45
  H     1.08742982 +1  119.7673935 +1 -179.4728075 +1    51    49    48
  C     1.39406628 +1  120.2740163 +1    0.4031885 +1    51    49    48
  H     1.08832005 +1  120.1251271 +1 -178.5048443 +1    53    51    49
  C     1.39360329 +1  119.9296245 +1    1.5532280 +1    53    51    49
  H     1.09218886 +1  120.1789107 +1  179.9814222 +1    55    53    51
  C     1.39233174 +1  120.1632785 +1   -1.1359511 +1    55    53    51
  H     1.09489258 +1  119.7969116 +1  178.9875947 +1    57    55    53
  C     1.78324601 +1  101.4810558 +1 -126.0940919 +1    18     2     1
  C     1.41050563 +1  116.0428896 +1  -37.4105282 +1    59    18     2
  H     1.11139645 +1  123.4295186 +1   -0.4698859 +1    60    59    18
  C     1.39628197 +1  119.3310477 +1  178.8262000 +1    60    59    18
  H     1.09263711 +1  118.7645665 +1  179.2911665 +1    62    60    59
  C     1.38865082 +1  120.5369988 +1   -0.9862723 +1    62    60    59
  H     1.08951025 +1  120.1291520 +1 -179.3921483 +1    64    62    60
  C     1.39518065 +1  120.0564276 +1    0.7243570 +1    64    62    60
  H     1.08787123 +1  119.6901260 +1  179.9157907 +1    66    64    62
  C     1.39114229 +1  120.6171705 +1    0.1171682 +1    66    64    62
  H     1.09209848 +1  117.7847825 +1  179.1587286 +1    68    66    64
  C     1.79929548 +1  108.8931313 +1  111.7708025 +1    18     2     1
  H     1.13091089 +1  111.7960967 +1 -172.0648373 +1    70    18     2
  H     1.15000164 +1  109.6517165 +1  -55.6375047 +1    70    18     2
  C     1.52120606 +1  110.0415689 +1   64.7835625 +1    70    18     2
  C     1.39861746 +1  119.9965308 +1   90.6705620 +1    73    70    18
  H     1.08650256 +1  120.7682804 +1    2.1233030 +1    74    73    70
  C     1.39232965 +1  119.7920169 +1 -177.1555799 +1    74    73    70
  H     1.08726663 +1  119.7831951 +1  179.1695203 +1    76    74    73
  C     1.39396943 +1  120.2275679 +1   -0.4855237 +1    76    74    73
  H     1.08826641 +1  120.1157707 +1  178.4621551 +1    78    76    74
  C     1.39322605 +1  119.9251632 +1   -1.3841661 +1    78    76    74
  H     1.09022556 +1  120.1013660 +1 -179.5821516 +1    80    78    76
  C     1.39752136 +1  120.0389818 +1  -88.9667575 +1    73    70    18
  H     1.09628268 +1  120.5888683 +1   -3.0251249 +1    82    73    70