Accuracy

Pr_(KAWBIT) r   6563 Praseodymium complex, CCDC: KAWBIT (Geo)

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    #  Species Formula
  6553 Praseodymium complex, CCDC: GIWWEO (Geo)C18H27N9Pr
  6554 Praseodymium complex, CCDC: NPYPRP10 (Geo)C48H36N12Pr
  6555 Praseodymium complex, CCDC: KOBRUO (Geo)C64H32N16Pr
  6556 Praseodymium complex, CCDC: RUGNOW (Geo)C27H30B3N18Pr
  6557 Praseodymium complex, CCDC: MIPTEK (Geo)C27H27N4O3Pr
  6558 Praseodymium complex, CCDC: POGWIR (Geo)C44H67O5Pr
  6559 Praseodymium complex, CCDC: YOTYUB (Geo)C45H82N9O5Pr
  6560 Praseodymium complex, CCDC: PELGOC (Geo)C27H29N2O6Pr
  6561 Praseodymium complex, CCDC: VELRUZ (Geo)C16H38N2O7Pr
  6562 Praseodymium complex, CCDC: ZULRED (Geo)C34H34N5O7Pr
  6563 Praseodymium complex, CCDC: KAWBIT (Geo) C31H30N8O7Pr
  6564 Praseodymium complex, CCDC: CAZGUF (Geo)C15H25O8Pr
  6565 Praseodymium complex, CCDC: BUVWIY01 (Geo)H18O9Pr
  6566 Praseodymium complex, CCDC: BAFYOX (Geo)C20H20N5O9Pr
  6567 Praseodymium complex, CCDC: KAHGEF (Geo)C16H18N7O9Pr
  6568 Praseodymium complex, CCDC: ECABAL (Geo)C24H16N7O9Pr
  6569 Praseodymium complex, CCDC: FEDYAO (Geo)C18H33N6O10Pr
  6570 Praseodymium complex, CCDC: DUCHAK (Geo)C13H12N9O10Pr
  6571 Praseodymium complex, CCDC: BIFYUK (Geo)C10H18N2O11Pr
  6572 Praseodymium complex, CCDC: QIMRIN (Geo)C18H32N11O11Pr
  6573 Praseodymium complex, CCDC: QOZVEG (Geo)C12H24N2O12Pr


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 CHARGE=1.0
Praseodymium complex, CCDC: KAWBIT
 <Pr-O2> <Pr-O3> <> <Pr-N4> <> <> <Pr-N5> <> <> <Pr-N6> <> <> <Pr-N7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.55635667 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.59199990 +1   65.1533175 +1    0.0000000 +0     1     2     0
  N     2.65140000 +1  103.7381642 +1  169.8673795 +1     1     2     3
  N     2.65750012 +1   92.5044536 +1  106.6134480 +1     1     2     3
  N     2.65980034 +1  114.5645518 +1  -84.3528889 +1     1     2     3
  N     2.66089998 +1  156.1149425 +1   -4.8763799 +1     1     2     3
  N     3.34874674 +1  115.0875808 +1   56.6294674 +1     1     2     3
  O     3.61789116 +1  149.9697743 +1  140.5362962 +1     1     2     3
  N     3.23563614 +1   90.2959882 +1 -134.4165518 +1     1     2     3
  O     2.14722931 +1  119.4683896 +1    6.2469587 +1     2     1     3
  O     2.15124735 +1   73.0199903 +1  122.4489128 +1     9     1     2
  C     1.37403859 +1  118.0899304 +1  -88.7903602 +1     4     1     2
  C     1.39527329 +1  123.3470419 +1  175.7997756 +1    13     4     1
  C     1.39514627 +1  119.6146379 +1    1.5770555 +1    14    13     4
  C     1.38565116 +1  118.2741823 +1    1.7120890 +1    15    14    13
  C     1.36623577 +1  126.4370500 +1   92.4753738 +1     4     1     2
  C     1.28496696 +1  104.7434668 +1 -136.7451064 +1    10     1     2
  C     1.48102987 +1  128.3237334 +1 -130.9606861 +1    18    10     1
  C     1.40619825 +1  107.1835713 +1   86.4313064 +1    10     1     2
  C     1.39427118 +1  123.1690784 +1 -145.3691948 +1    20    10     1
  C     1.39352107 +1  119.3958572 +1  170.6288821 +1    21    20    10
  C     1.39421635 +1  120.4779162 +1   -0.0960489 +1    22    21    20
  C     1.39343536 +1  120.5145488 +1    0.7071007 +1    23    22    21
  C     1.39449423 +1  119.6340749 +1   -0.4531861 +1    24    23    22
  C     1.30858715 +1  118.4997664 +1  169.4466988 +1     6     1     2
  C     1.48180683 +1  125.8961379 +1  152.4896202 +1    26     6     1
  C     1.37270948 +1  117.5857740 +1  -95.3417501 +1     7     1     2
  C     1.39617288 +1  123.3505014 +1  175.0021655 +1    28     7     1
  C     1.39415492 +1  119.5741755 +1    2.7025110 +1    29    28     7
  C     1.38736392 +1  118.3172081 +1    1.9685932 +1    30    29    28
  C     1.36591225 +1  127.1321303 +1   87.0946324 +1     7     1     2
  C     1.28347161 +1   99.6625266 +1  171.5543346 +1     8     1     2
  C     1.48084366 +1  129.1774020 +1 -124.5842717 +1    33     8     1
  C     1.40389844 +1  104.7569067 +1   38.7118963 +1     8     1     2
  C     1.39532973 +1  122.3449508 +1 -145.7888241 +1    35     8     1
  C     1.39278077 +1  119.4989031 +1  169.1259566 +1    36    35     8
  C     1.39457544 +1  120.4495603 +1   -0.3949342 +1    37    36    35
  C     1.39254270 +1  120.4700107 +1    1.2914451 +1    38    37    36
  C     1.39569736 +1  119.7282944 +1   -0.4029209 +1    39    38    37
  C     1.30694900 +1  119.7345500 +1  115.0975420 +1     5     1     2
  C     1.48429384 +1  125.2567886 +1  161.5305999 +1    41     5     1
  C     1.41772876 +1  137.8123744 +1  159.5436961 +1     3     1     2
  N     1.25231224 +1   33.0521638 +1 -176.3838912 +1    11     2     1
  O     2.15952698 +1   60.1921401 +1 -175.7691426 +1    12     9     1
  N     1.21722058 +1   30.1360394 +1   -0.2384839 +1    45    12     9
  O     1.19800776 +1  124.9280746 +1  178.3529986 +1    44    11     2
  H     1.09232635 +1  121.5390833 +1 -178.6982998 +1    14    13     4
  H     1.09590775 +1  120.6420289 +1 -179.0802995 +1    15    14    13
  H     1.09339564 +1  120.3614476 +1  178.6829445 +1    16    15    14
  H     1.11892243 +1  110.0285893 +1  113.5381992 +1    19    18    10
  H     1.10110918 +1  112.9510226 +1   -4.8326496 +1    19    18    10
  H     1.09953226 +1  114.1356848 +1 -127.2052813 +1    19    18    10
  H     1.09131571 +1  120.0080673 +1   -8.1445795 +1    21    20    10
  H     1.09425202 +1  119.6379645 +1 -179.5393459 +1    22    21    20
  H     1.09298830 +1  119.8416104 +1 -179.0684749 +1    23    22    21
  H     1.09035225 +1  120.1478599 +1 -179.8184243 +1    24    23    22
  H     1.11585543 +1  109.5828198 +1 -121.4139446 +1    27    26     6
  H     1.10064038 +1  114.1022668 +1  117.9049973 +1    27    26     6
  H     1.10411038 +1  113.6145091 +1   -3.8761424 +1    27    26     6
  H     1.09234889 +1  121.2413073 +1 -178.2206149 +1    29    28     7
  H     1.09580742 +1  120.6574177 +1 -179.2994156 +1    30    29    28
  H     1.09237951 +1  120.6105082 +1  177.6292028 +1    31    30    29
  H     1.11835287 +1  110.5490187 +1  121.1030225 +1    34    33     8
  H     1.09981371 +1  113.1696319 +1    1.5488997 +1    34    33     8
  H     1.10131012 +1  113.2740534 +1 -120.3448119 +1    34    33     8
  H     1.09092212 +1  119.8846832 +1   -9.7932075 +1    36    35     8
  H     1.09431047 +1  119.6786956 +1 -179.8061401 +1    37    36    35
  H     1.09340739 +1  119.8480933 +1 -178.5227914 +1    38    37    36
  H     1.09168316 +1  120.0972019 +1 -179.5512600 +1    39    38    37
  H     1.10888437 +1  111.5154516 +1 -128.9380120 +1    42    41     5
  H     1.10397918 +1  112.9472583 +1  109.8264446 +1    42    41     5
  H     1.10527478 +1  113.3854027 +1  -10.2560614 +1    42    41     5
  H     1.06948172 +1  110.4694105 +1   -5.6657453 +1     3     1     2
  H     1.09478637 +1  105.7998839 +1    6.2963858 +1    43     3     1
  H     1.09618333 +1  108.8474907 +1 -112.8736156 +1    43     3     1
  H     1.09575106 +1  108.2507927 +1  126.1065048 +1    43     3     1