Accuracy

Pr_(ZULRED) r   6562 Praseodymium complex, CCDC: ZULRED (Geo)

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    #  Species Formula
  6552 Cerium complex, CCDC: BABZIN (Geo)C42H34O20Cl12Ce2
  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


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: ZULRED
 <Pr-O2> <Pr-O3> <> <> <> <> <> <> <> <Pr-O6> <> <> <Pr-N7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.47980005 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.50971677 +1   77.1206693 +1    0.0000000 +0     1     2     0
  O     2.17072707 +1   67.1163630 +1  -88.4656455 +1     2     1     3
  O     2.18050690 +1   66.2932018 +1  135.2416471 +1     3     1     2
  O     2.63279994 +1   82.3453209 +1  162.4312978 +1     1     2     3
  N     2.65330025 +1   76.8901196 +1  -79.1296227 +1     1     2     3
  O     2.15011628 +1   67.8945986 +1   72.9096370 +1     6     1     2
  N     2.74998898 +1  139.4511241 +1  117.2012152 +1     1     2     3
  N     2.75505760 +1  130.3186191 +1  -46.7696280 +1     1     2     3
  N     2.75888722 +1   63.5610667 +1  128.6514972 +1     9     1     2
  N     1.28033127 +1  100.2816895 +1   71.2725008 +1     6     1     2
  O     1.20526144 +1  121.8315112 +1 -178.9805986 +1    12     6     1
  C     1.26853077 +1   97.1415523 +1  135.5636623 +1     3     1     2
  C     1.52555556 +1  119.5605349 +1  176.3995509 +1    14     3     1
  C     1.62955386 +1  106.0521736 +1  -59.8561765 +1    15    14     3
  C     1.56683925 +1  112.3733148 +1  176.6762934 +1    15    14     3
  C     1.58748150 +1  104.3602156 +1   57.7789797 +1    15    14     3
  C     1.28824582 +1   97.4985955 +1  -87.5563585 +1     2     1     3
  C     1.55924787 +1  118.2364842 +1  178.2334253 +1    19     2     1
  C     1.62564333 +1  113.3875115 +1   21.7707743 +1    20    19     2
  C     1.47097207 +1  111.6831737 +1  156.7634654 +1    20    19     2
  C     1.72316459 +1   98.7126079 +1  -89.4745170 +1    20    19     2
  C     1.34389404 +1  118.0566665 +1  -47.4740538 +1     9     1     2
  C     1.41165518 +1  123.7942372 +1  175.2204194 +1    24     9     1
  C     1.37651204 +1  118.7920095 +1    0.2070179 +1    25    24     9
  C     1.42441973 +1  119.1474509 +1    1.2527782 +1    26    25    24
  C     1.43618663 +1  121.4806187 +1  178.3146249 +1    27    26    25
  C     1.36840743 +1  120.4519506 +1 -179.9187008 +1    28    27    26
  C     1.43563732 +1  121.6711207 +1   -6.0545063 +1    29    28    27
  C     1.42057387 +1  122.6918278 +1 -176.3256903 +1    30    29    28
  C     1.37424024 +1  120.8518911 +1  177.9085513 +1    31    30    29
  C     1.34480639 +1  179.9973408 +1  150.0009243 +1    11     9     1
  C     1.37331152 +1   62.0199784 +1  179.1490351 +1    11     9     1
  C     1.37476118 +1  124.6366889 +1  127.4592988 +1     9     1     2
  C     1.34326639 +1  121.8735605 +1  146.6635757 +1    10     1     2
  C     1.45692762 +1  122.1873522 +1 -170.8433640 +1    36    10     1
  C     1.36333620 +1  118.4311960 +1    1.8606399 +1    37    36    10
  C     1.41323545 +1  121.0098975 +1   -0.8911013 +1    38    37    36
  C     1.44522834 +1  124.2038226 +1 -179.4300485 +1    39    38    37
  C     1.35770832 +1  121.8673213 +1  176.4478483 +1    40    39    38
  C     1.44596731 +1  120.4580320 +1   -0.3154035 +1    41    40    39
  C     1.42517821 +1  122.5681603 +1 -177.8260677 +1    42    41    40
  C     1.38288579 +1  119.5974271 +1 -177.9037037 +1    43    42    41
  C     1.34956427 +1  119.7949741 +1  -30.1485162 +1     7     1     2
  C     1.37267319 +1  121.5618795 +1  140.2426282 +1     7     1     2
  C     1.37700319 +1  118.5005664 +1  -24.0653376 +1    10     1     2
  H     0.96739281 +1  103.4940050 +1  173.9879820 +1    16    15    14
  H     1.10084846 +1   89.8444999 +1 -100.5958769 +1    16    15    14
  H     1.05853012 +1   94.7143069 +1   61.1382514 +1    16    15    14
  H     1.06807040 +1  110.6375497 +1 -156.5989737 +1    17    15    14
  H     1.02571133 +1  116.6984053 +1  -30.0987550 +1    17    15    14
  H     1.07094234 +1   87.4583601 +1   52.7277950 +1    17    15    14
  H     1.08506604 +1  105.0848269 +1  149.8722251 +1    18    15    14
  H     1.17158685 +1   92.4118590 +1 -117.0053903 +1    18    15    14
  H     1.11369869 +1  118.4308064 +1   39.0202978 +1    18    15    14
  H     1.14848613 +1   68.7994833 +1   33.0660382 +1    21    20    19
  H     1.01348018 +1  110.5792968 +1 -175.5959574 +1    21    20    19
  H     0.97978009 +1  129.0679345 +1  -25.9710729 +1    21    20    19
  H     1.14903803 +1   89.8440900 +1 -107.6417482 +1    22    20    19
  H     1.02511658 +1  164.8390900 +1 -130.9305001 +1    22    20    19
  H     1.01001206 +1   77.7241296 +1  -60.2701026 +1    61    22    20
  H     1.11515167 +1  117.4647458 +1 -162.2617301 +1    23    20    19
  H     1.13761200 +1   63.1710629 +1  167.3293745 +1    23    20    19
  H     1.16253701 +1  113.2279005 +1   68.1468442 +1    23    20    19
  H     1.02937010 +1  116.0169353 +1   -7.2507958 +1    24     9     1
  H     1.06746054 +1  118.2494015 +1  177.0471711 +1    25    24     9
  H     1.02054737 +1  123.4786857 +1 -178.9483766 +1    26    25    24
  H     1.00994778 +1  121.4994315 +1   -8.3872847 +1    28    27    26
  H     1.00974906 +1  122.3351990 +1  175.5519422 +1    29    28    27
  H     1.02748588 +1  115.5887218 +1    5.7481014 +1    31    30    29
  H     0.99043765 +1  125.8179841 +1 -168.0612398 +1    32    31    30
  H     0.97597098 +1  116.7336494 +1 -156.4654322 +1    33    11     9
  H     1.01291687 +1  117.6744486 +1   11.2695181 +1    36    10     1
  H     1.05016191 +1  105.8566026 +1  172.9723015 +1    37    36    10
  H     1.03465423 +1  119.1997941 +1 -174.0256569 +1    38    37    36
  H     0.97466939 +1  114.5388414 +1    1.5825070 +1    40    39    38
  H     1.01502857 +1  129.1786170 +1 -173.0158384 +1    41    40    39
  H     1.02875683 +1  119.9019831 +1   -0.3015432 +1    43    42    41
  H     1.00748192 +1  120.3143674 +1 -178.3099961 +1    44    43    42
  H     1.04795856 +1  111.9028211 +1  -13.9149710 +1    45     7     1