Accuracy

Nd_(MEDMIR) r   6611 Neodymium complex, CCDC: MEDMIR (Geo)

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    #  Species Formula
  6601 Praseodymium complex, CCDC: HEDBOH (Geo)C30H42N8O18Pr2
  6602 Praseodymium complex, CCDC: XIZRAZ (Geo)C20H32N8O20Pr2
  6603 Praseodymium complex, CCDC: PAJJIT (Geo)C24H30N4O6F36Pr2
  6604 Praseodymium complex, CCDC: BABZOT (Geo)C42H34O20Cl12Pr2
  6605 Neodymium complex, CCDC: QEBJIQ (Geo)C25H37Nd
  6606 Neodymium complex, CCDC: FIMFEM (Geo)C20H20NNd
  6607 Neodymium complex, CCDC: BILSIY (Geo)C14H39N9Nd
  6608 Neodymium complex, CCDC: XONYII (Geo)C45H33N9Nd
  6609 Neodymium complex, CCDC: LUDQIK (Geo)C30H42N11Nd
  6610 Neodymium complex, CCDC: NAVCIW (Geo)C34H50B2N14Nd
  6611 Neodymium complex, CCDC: MEDMIR (Geo) C20H27O2Nd
  6612 Neodymium complex, CCDC: WEFPUS (Geo)C38H61O2Nd
  6613 Neodymium complex, CCDC: VIVBOR (Geo)C36H39O3Nd
  6614 Neodymium complex, CCDC: MIPTIO (Geo)C27H27N4O3Nd
  6615 Neodymium complex, CCDC: WEFVUY (Geo)C57H57N6O3Nd
  6616 Neodymium complex, CCDC: QAYWOC (Geo)C49H77O4Nd
  6617 Neodymium complex, CCDC: ROMXIA (Geo)C72H52O4Nd
  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


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: MEDMIR
 <Nd-O2> <Nd-O3> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.62266552 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.62455327 +1  100.6159310 +1    0.0000000 +0     1     2     0
  C     3.53445334 +1   55.4595051 +1  -82.2182452 +1     1     2     3
  C     1.40950608 +1   91.9373263 +1  119.7765489 +1     4     1     2
  C     1.41370056 +1  107.6455196 +1   75.4540366 +1     5     4     1
  C     1.40606814 +1  108.2131591 +1    0.2729308 +1     6     5     4
  C     1.41405660 +1  108.2952630 +1   -0.5739219 +1     7     6     5
  C     2.43225033 +1  155.9042429 +1  128.1711331 +1     1     2     3
  C     1.48907563 +1  103.7974990 +1  -58.6576886 +1     9     1     2
  C     1.34476418 +1  121.3320943 +1   31.4078690 +1    10     9     1
  C     1.48775661 +1  121.1705941 +1   -0.0207397 +1    11    10     9
  C     1.46774250 +1  107.4230482 +1   88.7249468 +1    12    11    10
  C     1.34971799 +1  129.6389949 +1  -59.7997082 +1    13    12    11
  C     1.45337757 +1  132.5223276 +1   -0.1010247 +1    14    13    12
  C     1.46984778 +1  112.7234718 +1   57.2362425 +1     9     1     2
  H     1.06254324 +1  126.1603196 +1 -109.2378175 +1     5     4     1
  H     1.06518043 +1  125.7970102 +1  176.9142382 +1     6     5     4
  H     1.06607287 +1  125.8533959 +1  176.1147564 +1     7     6     5
  H     1.06249352 +1  125.8534775 +1  171.7136430 +1     8     7     6
  C     1.48141222 +1  100.1105319 +1   -7.1350216 +1     4     1     2
  H     1.11351241 +1  109.3832746 +1  159.6567256 +1    21     4     1
  H     1.10855325 +1  111.1364621 +1  -85.4610078 +1    21     4     1
  C     1.45681092 +1  125.9724148 +1   51.1029333 +1     2     1     3
  H     1.10414262 +1  102.6270672 +1  -51.1854676 +1    24     2     1
  H     1.10016535 +1  109.6278376 +1 -167.1999546 +1    24     2     1
  C     1.43388463 +1  121.5346597 +1 -136.9310100 +1     2     1     3
  H     1.10097376 +1  105.2134300 +1   10.7703003 +1    27     2     1
  H     1.09432981 +1  109.1170234 +1 -109.2800162 +1    27     2     1
  H     1.09455107 +1  109.4899349 +1  128.5199031 +1    27     2     1
  H     1.08644025 +1  109.6082614 +1 -177.7683111 +1     9     1     2
  H     1.08172105 +1  116.1881904 +1 -151.7038392 +1    10     9     1
  H     1.08169597 +1  122.5322068 +1  177.0241391 +1    11    10     9
  H     1.08472963 +1  111.6988318 +1 -147.7286525 +1    12    11    10
  H     1.09616650 +1  113.2684134 +1  118.5469528 +1    13    12    11
  H     1.09878179 +1  116.1323190 +1  177.9039573 +1    14    13    12
  H     1.09890476 +1  111.2656029 +1  178.3400353 +1    15    14    13
  H     1.09663754 +1  113.0754826 +1  126.7401504 +1    16     9     1
  C     1.45393322 +1  121.8895115 +1  134.0639573 +1     3     1     2
  H     1.10464553 +1  105.2667697 +1   74.6678903 +1    39     3     1
  H     1.10478689 +1  104.5461893 +1  -42.6666378 +1    39     3     1
  C     1.52088012 +1  106.8998264 +1 -164.3744645 +1    39     3     1
  H     1.10518267 +1  111.8049415 +1   94.8576194 +1    42    39     3
  H     1.10377106 +1  112.2005264 +1 -146.4895812 +1    42    39     3
  C     1.53732829 +1  104.2658206 +1  -25.2704776 +1    42    39     3
  H     1.10567756 +1  111.0894581 +1  -98.7707308 +1    45    42    39
  H     1.10317604 +1  111.6230114 +1  143.6459715 +1    45    42    39
  C     1.44921306 +1  128.4713513 +1  -49.9854113 +1     3     1     2
  H     1.10139501 +1  104.5150507 +1   57.8001804 +1    48     3     1
  H     1.10796259 +1  104.9466743 +1  -59.3616266 +1    48     3     1