Accuracy

Pr_(HEDBOH) r   6601 Praseodymium complex, CCDC: HEDBOH (Geo)

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    #  Species Formula
  6591 Praseodymium complex, CCDC: FAGYIW (Geo)C7H20NO11SPr
  6592 Praseodymium complex, CCDC: DIYMUT (Geo)C20H26O12S2Pr
  6593 Praseodymium complex, CCDC: EFUJEU (Geo)C15H30N6O9F9S3Pr
  6594 Praseodymium complex, CCDC: DORDIX (Geo)C48H40N3O13S4Pr
  6595 Praseodymium complex, CCDC: ZOSGUJ (Geo)C50H69N4O12Pr2
  6596 Praseodymium complex, CCDC: PEHHIP (Geo)C32H28N6O14Pr2
  6597 Praseodymium complex, CCDC: QOBBIS (Geo)C52H36N6O14Pr2
  6598 Praseodymium complex, CCDC: JERWOS (Geo)C4H30O16Pr2
  6599 Praseodymium complex, CCDC: ACURLB (Geo)C16H34N8O16Pr2
  6600 Praseodymium complex, CCDC: CUMCOC (Geo)C16H28O18Pr2
  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


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
Praseodymium complex, CCDC: HEDBOH
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <> <> <> <Pr-N6> <> <> <Pr-O7> <> <> <Pr-O8> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.36360798 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45269582 +1   89.0040749 +1    0.0000000 +0     1     2     0
  O     2.57805710 +1  121.7183089 +1   78.3685344 +1     1     2     3
  O     2.14686920 +1  135.0112636 +1   43.0733492 +1     4     1     2
  N     2.60631376 +1   71.4618310 +1  142.0213577 +1     1     2     3
  O     2.60917708 +1   88.7465445 +1 -123.7245153 +1     1     2     3
  O     2.63418112 +1  159.8041084 +1 -130.4516526 +1     1     2     3
  O     4.06214635 +1  126.2074565 +1  153.4801357 +1     1     2     3
 Pr     2.64968024 +1  109.7683657 +1   13.9351311 +1     3     1     2
  O     2.14668652 +1  122.1814375 +1   84.5583524 +1     7     1     2
  N     3.16692566 +1  116.0748570 +1  -62.7193853 +1     1     2     3
  N     1.22007062 +1   32.3445660 +1 -146.7180098 +1     5     4     1
  O     3.59235315 +1  179.9975978 +1 -145.5793561 +1    10     3     1
  O     3.46195370 +1  125.0396265 +1  113.8908758 +1    10     3     1
  N     1.23299821 +1   32.5393592 +1 -172.4076785 +1    11     7     1
  O     1.84289366 +1  105.2471288 +1 -129.2724441 +1    10     3     1
  O     1.22057264 +1  124.8545739 +1  179.6469547 +1    13     5     4
  O     1.21150276 +1  124.8101685 +1 -177.9580306 +1    16    11     7
  O     1.92107037 +1   99.1822976 +1   48.8385532 +1    10     3     1
  C     1.48151423 +1  110.1117256 +1   65.3039687 +1    12     1     2
  C     1.47763698 +1  107.7256106 +1 -169.1536445 +1    12     1     2
  C     1.44083550 +1  123.1205225 +1   51.8212302 +1     8     1     2
  C     1.43286220 +1  122.0366028 +1 -120.0990756 +1     8     1     2
  C     1.41509554 +1   83.1340299 +1  136.8689638 +1     9     1     2
  C     1.41985598 +1   73.9678693 +1   15.8949572 +1     9     1     2
  C     1.48157928 +1  116.3683887 +1 -173.8109078 +1     6     1     2
  C     1.31057321 +1  128.7670080 +1    2.0070689 +1     6     1     2
  C     1.44630286 +1  127.8606773 +1    2.6108819 +1    28     6     1
  C     1.41328446 +1  114.4849924 +1  176.3321622 +1    29    28     6
  C     1.37724516 +1  122.0326418 +1 -179.2108809 +1    30    29    28
  C     1.40717971 +1  118.8578473 +1    0.7573969 +1    31    30    29
  C     1.50456507 +1  111.2905969 +1   60.3597379 +1    21    12     1
  C     1.29151944 +1  143.9341122 +1 -152.5514856 +1     2     1     3
  C     1.49139851 +1  121.6408392 +1  179.6919885 +1    31    30    29
  N     3.12739593 +1   70.2235441 +1  127.4687443 +1    10     3     1
  N     3.14923635 +1  126.5795135 +1  -42.6059496 +1    10     3     1
  O     2.17669287 +1  144.1005911 +1  114.7966985 +1    17    10     3
  N     1.39473487 +1  179.7125573 +1 -146.8476140 +1    20    10     3
  C     1.37914363 +1  121.6194217 +1   -2.1051368 +1    32    31    30
  C     1.38762585 +1  118.7961108 +1  108.4117869 +1    33    21    12
  C     1.33506273 +1  129.3941452 +1 -174.3406237 +1     3     1     2
  C     1.49570506 +1  108.3752503 +1   14.7725906 +1    37    10     3
  C     1.39731938 +1  120.8948555 +1  178.2361985 +1    41    33    21
  C     1.40723851 +1  121.7238285 +1 -108.0961532 +1    42     3     1
  C     1.38950980 +1  119.1568600 +1   -1.7717680 +1    44    41    33
  C     1.49144574 +1  119.8908591 +1  178.8733951 +1    44    41    33
  C     1.29101976 +1  112.8225099 +1   -7.7205456 +1    36    10     3
  C     1.48567388 +1  105.6996412 +1  138.5912338 +1    37    10     3
  C     1.41454519 +1  108.9344193 +1  116.9579984 +1    14    10     3
  C     1.43090169 +1   93.3117015 +1 -124.3978763 +1    14    10     3
  C     1.42489595 +1   99.6685831 +1  158.4630212 +1    15    10     3
  C     1.42558265 +1  100.7424046 +1   39.0676149 +1    15    10     3
  C     1.46340755 +1  109.8874748 +1 -148.2926791 +1    36    10     3
  N     1.18633243 +1   37.2469860 +1  165.7150934 +1    38    17    10
  O     1.19213879 +1  113.6522117 +1  -14.2118567 +1    39    20    10
  O     1.18231995 +1  134.9985780 +1 -179.1975003 +1    55    38    17
  O     1.18881683 +1  113.4027153 +1  165.6505854 +1    39    20    10
  H     1.11837549 +1  106.8466213 +1  -59.1642252 +1    21    12     1
  H     1.11216586 +1  112.2036451 +1 -174.7696658 +1    21    12     1
  H     1.03537773 +1  101.5096176 +1  -52.7890770 +1    12     1     2
  H     1.11477857 +1  109.5634281 +1  -76.9545967 +1    22    12     1
  H     1.10990634 +1  113.1187397 +1  163.9717330 +1    22    12     1
  H     1.09975148 +1  110.9952432 +1 -176.2189134 +1    23     8     1
  H     1.10924984 +1  104.1236500 +1  -58.0972111 +1    23     8     1
  H     1.11794470 +1  103.4215873 +1  -37.7558564 +1    24     8     1
  H     1.09808228 +1  110.6547348 +1 -153.6654132 +1    24     8     1
  H     1.10514726 +1  104.6135145 +1  170.7164002 +1    25     9     1
  H     1.10377152 +1  113.1061109 +1  -71.1257997 +1    25     9     1
  H     1.10461869 +1  105.4371625 +1 -179.5888772 +1    26     9     1
  H     1.10187756 +1  113.1863894 +1   62.1678182 +1    26     9     1
  H     1.13165915 +1  107.6328813 +1   51.2778959 +1    27     6     1
  H     1.10827810 +1  113.6623620 +1  165.9983233 +1    27     6     1
  H     1.11538722 +1  118.9271836 +1 -177.1272031 +1    28     6     1
  H     1.09349662 +1  118.7456821 +1    0.4614974 +1    30    29    28
  H     1.09252113 +1  118.2721083 +1  177.1368636 +1    32    31    30
  H     1.09930537 +1  111.3553487 +1  126.8724590 +1    35    31    30
  H     1.09831215 +1  112.4789319 +1    6.9269931 +1    35    31    30
  H     1.09999022 +1  111.2100092 +1 -113.1569640 +1    35    31    30
  H     1.09051739 +1  119.8727458 +1   -1.4097553 +1    41    33    21
  H     1.11968685 +1  105.9406312 +1  -44.6969768 +1    43    37    10
  H     1.11399842 +1  110.9764762 +1 -159.1058242 +1    43    37    10
  H     1.02412555 +1  106.8698606 +1 -103.1209146 +1    37    10     3
  H     1.09215969 +1  119.4854042 +1 -179.5130583 +1    46    44    41
  H     1.09986198 +1  111.2716451 +1  -53.7273991 +1    47    44    41
  H     1.09846269 +1  112.5750986 +1 -173.8023274 +1    47    44    41
  H     1.10003328 +1  111.1406749 +1   65.9800525 +1    47    44    41
  H     1.10607285 +1  125.7637991 +1 -133.5242408 +1    48    36    10
  H     1.11813613 +1  107.2195618 +1  -42.2317722 +1    49    37    10
  H     1.11150821 +1  112.1496728 +1 -158.1001861 +1    49    37    10
  H     1.10511489 +1  110.4827699 +1  140.1255985 +1    50    14    10
  H     1.10865122 +1  101.5441787 +1 -104.7068000 +1    50    14    10
  H     1.10934965 +1  109.4724943 +1  -49.9699046 +1    51    14    10
  H     1.10083091 +1  109.1780548 +1 -169.5536761 +1    51    14    10
  H     1.10236816 +1  108.5519149 +1 -174.1051582 +1    52    15    10
  H     1.10463957 +1  111.0431656 +1  -54.1556105 +1    52    15    10
  H     1.10175058 +1  108.4507612 +1  179.6022595 +1    53    15    10
  H     1.10312856 +1  110.5681783 +1   59.2463340 +1    53    15    10
  H     1.12043025 +1  110.0588185 +1   58.1858446 +1    54    36    10
  H     1.11041971 +1  112.7971711 +1  176.4885535 +1    54    36    10