Accuracy

Pr_(ACURLB) r   6599 Praseodymium complex, CCDC: ACURLB (Geo)

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    #  Species Formula
  6589 Praseodymium complex, CCDC: ZAXRUL (Geo)C72H60N3O6P6Pr
  6590 Praseodymium complex, CCDC: ZAXSEW (Geo)C75H66N3O7P6Pr
  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


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: ACURLB
 <Pr-O2> <Pr-O3> <> <Pr-O4> <> <> <Pr-O5> <> <> <Pr-O6> <> <> <Pr-O7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.44477046 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.45820004 +1  135.2695452 +1    0.0000000 +0     1     2     0
  O     2.47799543 +1  148.4322082 +1 -146.5517068 +1     1     2     3
  O     2.49909967 +1   71.6351415 +1   33.6811976 +1     1     2     3
  O     2.50393565 +1   74.4206345 +1 -152.3354099 +1     1     2     3
  O     2.53787022 +1   97.3885753 +1  123.3074745 +1     1     2     3
  O     2.19607505 +1   94.0361504 +1   41.6565012 +1     7     1     2
 Pr     3.08638529 +1  105.0343847 +1  -79.2803345 +1     5     1     2
  O     3.01455909 +1   91.2301825 +1  -74.3016497 +1     1     2     3
  O     2.18945492 +1   80.8412977 +1   64.2789409 +1    10     1     2
  O     2.19792538 +1  127.3877450 +1   -5.5513776 +1     3     1     2
  N     2.30028217 +1  115.7713208 +1   10.0667622 +1     4     1     2
  O     2.20252823 +1  120.2828340 +1    4.8067122 +1     2     1     3
  N     2.33012673 +1  111.4220236 +1  -24.4442043 +1     6     1     2
  O     2.17459690 +1  179.9974765 +1  -18.6122866 +1     5     1     2
  N     2.27506443 +1  172.4574034 +1   83.6092630 +1     4     1     2
  N     2.25170511 +1  171.7197937 +1   17.6592105 +1     6     1     2
  C     1.24197763 +1  146.5046521 +1   20.3766411 +1     4     1     2
  O     2.85815533 +1  156.3532969 +1   30.3609785 +1     9     5     1
  O     2.16444431 +1   79.3663243 +1 -132.7445853 +1    20     9     5
  C     1.25180933 +1  141.2735481 +1  -21.7739438 +1     6     1     2
  O     2.77930420 +1   99.7129433 +1 -140.8834684 +1     9     5     1
  O     2.74417517 +1  105.4981831 +1  143.0317401 +1     9     5     1
  C     1.27817936 +1  122.7147201 +1   41.4847854 +1     7     1     2
  C     1.50269309 +1  117.4478204 +1 -179.8666319 +1    25     7     1
  C     1.27998704 +1  148.4693191 +1    6.7261707 +1     2     1     3
  C     1.50119449 +1  117.4181137 +1  174.0344065 +1    27     2     1
  C     1.22328206 +1  112.6996196 +1   64.0873707 +1    10     1     2
  C     1.48297104 +1  125.3779789 +1  178.2842223 +1    29    10     1
  C     1.24651989 +1   29.0241814 +1  170.2213014 +1    12     3     1
  C     1.23133034 +1   31.3938186 +1  115.8767544 +1    16     5     1
  C     1.50145535 +1  119.5938422 +1  178.6247839 +1    31    12     3
  C     1.49417239 +1  123.6154697 +1 -178.9302358 +1    32    16     5
  C     1.23497383 +1  147.7355332 +1   74.7005435 +1    24     9     5
  C     1.23881596 +1  144.3412603 +1   69.2493289 +1    23     9     5
  C     1.26399714 +1  109.4920569 +1 -132.7622361 +1    20     9     5
  N     1.39009579 +1  119.2271373 +1   22.8946051 +1    35    24     9
  N     1.37727989 +1  119.6676766 +1 -168.6280662 +1    35    24     9
  N     1.37559941 +1  119.4789887 +1 -174.1156100 +1    36    23     9
  N     1.40071237 +1  123.5903593 +1    5.0187661 +1    36    23     9
  C     1.50149142 +1  119.7258389 +1  179.3821183 +1    37    20     9
  H     1.09455598 +1  111.4141256 +1  177.4083393 +1    26    25     7
  H     1.09916553 +1  109.8049942 +1   57.3071462 +1    26    25     7
  H     1.09952644 +1  109.7639019 +1   87.6176369 +1    28    27     2
  H     1.09702495 +1  111.8046636 +1    3.0050403 +1    30    29    10
  H     1.00717650 +1   91.4085790 +1  100.7925769 +1    17     4     1
  H     0.99763273 +1  149.3654540 +1  -59.7706053 +1    17     4     1
  H     1.02566173 +1  119.3502862 +1  -99.9018477 +1    15     6     1
  H     1.04350191 +1   85.5807843 +1    8.3183446 +1    15     6     1
  H     1.00254909 +1  143.6807697 +1   -0.5341326 +1    18     6     1
  H     1.00334973 +1   88.3718061 +1  132.2909122 +1    18     6     1
  H     1.09684382 +1  112.6446411 +1  -31.5568391 +1    28    27     2
  H     1.09689131 +1  111.0527599 +1 -153.5158605 +1    28    27     2
  H     1.10314802 +1  113.4712088 +1  128.0350806 +1    30    29    10
  H     1.09837151 +1  109.6006422 +1  -88.0483181 +1    33    31    12
  H     1.09589259 +1  112.0878048 +1   30.8749694 +1    33    31    12
  H     1.09758673 +1  111.2006564 +1  153.0687510 +1    33    31    12
  H     1.09611964 +1  111.6083307 +1   -2.9238077 +1    34    32    16
  H     1.09604510 +1  113.3751245 +1 -127.3701269 +1    34    32    16
  H     1.00872102 +1  117.5680889 +1   23.2859179 +1    39    35    24
  H     0.99557000 +1  122.5743068 +1 -177.9930818 +1    39    35    24
  H     1.00198511 +1  120.3496167 +1  158.0040942 +1    40    36    23
  H     1.00086171 +1  118.4781710 +1    2.6260423 +1    40    36    23
  H     1.00987492 +1  116.5395048 +1  108.0821686 +1    41    36    23
  H     1.04751651 +1  112.9118731 +1  -21.9551254 +1    41    36    23
  H     1.09558721 +1  111.2411232 +1 -177.4785929 +1    42    37    20
  H     1.09776756 +1  109.9400277 +1  -57.4074730 +1    42    37    20
  H     1.00442874 +1  132.0238775 +1  100.4476879 +1    13     4     1
  H     1.02250864 +1   85.4335463 +1  -17.0392974 +1    13     4     1
  H     1.09570090 +1  111.1163307 +1  -60.5644231 +1    26    25     7
  H     1.10944959 +1  108.8809483 +1 -114.8510483 +1    30    29    10
  H     1.10456422 +1  108.5447004 +1  114.4819437 +1    34    32    16
  H     1.01346446 +1  115.9000953 +1  -35.8256516 +1    38    35    24
  H     0.99849433 +1  120.4018867 +1  177.1048616 +1    38    35    24
  H     1.09531792 +1  111.1932054 +1   60.7667210 +1    42    37    20