Accuracy

Nd_(RIMQIN) r   6642 Neodymium complex, CCDC: RIMQIN (Geo)

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    #  Species Formula
  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
  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


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: RIMQIN
 <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     2.39274982 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.49260004 +1   62.8525020 +1    0.0000000 +0     1     2     0
  O     2.57850050 +1   83.4411669 +1 -127.6643198 +1     1     2     3
  O     2.58040026 +1  106.5620327 +1  -61.0068475 +1     1     2     3
  O     2.59329980 +1   66.8845831 +1  100.7828575 +1     1     2     3
  O     2.61740000 +1  144.1032025 +1   22.4600418 +1     1     2     3
  O     3.23225002 +1  108.0050902 +1  144.2871664 +1     1     2     3
  O     2.14608604 +1  107.3151255 +1 -110.4587192 +1     7     1     2
  O     2.14420528 +1  108.4963084 +1  148.5329097 +1     4     1     2
  O     2.15709968 +1   97.4085014 +1  -16.1323104 +1     8     1     2
  N     1.23555428 +1   32.8353361 +1  178.3457489 +1     9     7     1
  N     1.23023140 +1   33.0839370 +1 -176.4958117 +1    10     4     1
  N     1.24689135 +1  129.6222048 +1   -9.1363570 +1     8     1     2
  O     1.20766794 +1  124.8762503 +1 -178.8584723 +1    12     9     7
  O     1.20877139 +1  125.5869722 +1  179.0219342 +1    13    10     4
  O     1.20493425 +1  124.2607705 +1  168.8885319 +1    14     8     1
  N     2.23819225 +1  179.9955092 +1  -79.0108185 +1     2     1     3
  N     2.24935191 +1  159.5820433 +1  -55.0458664 +1     3     1     2
  C     1.24685552 +1  148.6296245 +1  -20.7361611 +1     2     1     3
  C     1.24499486 +1  141.5141413 +1    0.3043899 +1     3     1     2
  C     1.51308782 +1  118.3650689 +1   33.7816807 +1    21     3     1
  C     1.47264158 +1   90.6942160 +1 -119.9419299 +1    18     2     1
  C     1.46995749 +1   92.8718920 +1 -102.1589275 +1    19     3     1
  C     1.43480838 +1  151.1929741 +1   66.0127108 +1    18     2     1
  C     1.39802962 +1  119.0936366 +1   84.1966989 +1    25    18     2
  C     1.39207972 +1  118.9193192 +1  178.5681241 +1    26    25    18
  C     1.39445705 +1  120.2027224 +1    1.1113471 +1    27    26    25
  C     1.39428369 +1  120.2920180 +1   -1.1753107 +1    28    27    26
  C     1.39725668 +1  119.4349670 +1  -97.0985655 +1    25    18     2
  C     1.43633291 +1  150.6591795 +1   77.1098526 +1    19     3     1
  C     1.39749915 +1  119.8543478 +1   85.0445524 +1    31    19     3
  C     1.39238752 +1  118.8922285 +1  179.4840180 +1    32    31    19
  C     1.39499851 +1  120.2189619 +1    1.0541861 +1    33    32    31
  C     1.39413338 +1  120.3074301 +1   -1.4706129 +1    34    33    32
  C     1.39738013 +1  118.6996070 +1  -95.4101192 +1    31    19     3
  H     1.10920230 +1  113.6722788 +1  178.5140207 +1    22    21     3
  H     1.12464523 +1  108.1305653 +1   62.7995690 +1    22    21     3
  H     1.10158405 +1  110.9305372 +1 -164.1511373 +1    23    18     2
  H     1.10833589 +1  110.2299393 +1   74.8985241 +1    23    18     2
  H     1.11300649 +1  110.4579361 +1  -43.4633871 +1    23    18     2
  H     1.10613492 +1  110.2015959 +1 -123.1834171 +1    24    19     3
  H     1.10438758 +1  110.4182757 +1  116.8115407 +1    24    19     3
  H     1.11098957 +1  110.9922808 +1   -4.0670094 +1    24    19     3
  H     1.08985196 +1  120.5516703 +1   -0.9703992 +1    26    25    18
  H     1.09062488 +1  119.7713760 +1 -178.7938532 +1    27    26    25
  H     1.09086434 +1  119.8319431 +1  179.2476237 +1    28    27    26
  H     1.09157491 +1  119.9941285 +1 -179.3453289 +1    29    28    27
  H     1.09080653 +1  120.6298318 +1    0.5347498 +1    30    25    18
  H     1.09035714 +1  120.6069129 +1    0.3295713 +1    32    31    19
  H     1.09140926 +1  119.8208413 +1 -178.9574466 +1    33    32    31
  H     1.09096626 +1  119.7417543 +1  179.0828632 +1    34    33    32
  H     1.09128658 +1  120.0436881 +1 -178.5772386 +1    35    34    33
  H     1.09030986 +1  120.5794060 +1   -0.4090484 +1    36    31    19
  H     0.95581934 +1  127.7017905 +1   58.7321559 +1     5     1     2
  H     0.98891618 +1  121.1793123 +1 -149.5529151 +1     5     1     2
  H     1.16015234 +1  110.3438487 +1  103.3623727 +1     6     1     2
  H     0.93164005 +1  139.3706962 +1  -38.7691363 +1     6     1     2