Accuracy

Pr_(RUGNOW) r   6556 Praseodymium complex, CCDC: RUGNOW (Geo)

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    #  Species Formula
  6546 Cerium complex, CCDC: FUHFEZ (Geo)C48H40N3O13S4Ce
  6547 Cerium complex, CCDC: VACMUI (Geo)C50H74B4N20O2Ce2
  6548 Cerium complex, CCDC: KIPLEA (Geo)C54H114O6Ce2
  6549 Cerium complex, CCDC: SOZLUO (Geo)C60H126O6Ce2
  6550 Cerium complex, CCDC: XEXCUY (Geo)C56H48N6O14Ce2
  6551 Cerium complex, CCDC: CUMCIW (Geo)C16H28O18Ce2
  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


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: RUGNOW
 <Pr-N2> <Pr-N3> <> <Pr-N4> <> <> <Pr-N5> <> <> <Pr-N6> <> <> <Pr-N7> GR=CCDC
 Pr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.60909700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.60919989 +1   86.9380281 +1    0.0000000 +0     1     2     0
  N     2.60939093 +1   86.3934088 +1  -87.2487059 +1     1     2     3
  N     2.60969457 +1   75.1421549 +1  136.1517978 +1     1     2     3
  N     2.60972565 +1  133.7571362 +1   65.8045288 +1     1     2     3
  N     2.61003749 +1  133.0205592 +1 -152.8686780 +1     1     2     3
  N     3.41559650 +1  142.3020171 +1  -45.1597356 +1     1     2     3
  N     3.41376292 +1   67.4526505 +1   65.4720086 +1     1     2     3
  N     3.42038462 +1   66.1578527 +1 -153.7204502 +1     1     2     3
  N     1.36655399 +1  126.1352206 +1 -162.2670993 +1     2     1     3
  C     2.24485376 +1  146.5742476 +1 -138.7198488 +1     9     1     2
  C     1.40051112 +1   73.0021791 +1 -179.9902319 +1    12     9     1
  C     1.35682058 +1  141.1737742 +1   41.2863763 +1     9     1     2
  N     1.36651697 +1  126.1832623 +1  110.3571904 +1     3     1     2
  C     1.36386599 +1  110.2620945 +1  173.8121608 +1    15     3     1
  C     1.41151234 +1  108.2958700 +1   -0.1737713 +1    16    15     3
  C     1.38038103 +1  126.9418557 +1  -77.5510262 +1     3     1     2
  B     1.56491343 +1  124.2522840 +1   -7.1763391 +1    15     3     1
  N     1.36652749 +1  126.1908154 +1  -43.9040523 +1     6     1     2
  C     2.24476137 +1  146.5812643 +1  -88.6680323 +1     8     1     2
  C     1.40053474 +1   73.0036826 +1 -179.9394362 +1    21     8     1
  C     1.35682295 +1  141.1620964 +1   91.4425231 +1     8     1     2
  B     2.52993479 +1   79.9671600 +1  -88.6668402 +1     8     1     2
  N     1.36649470 +1  126.1904828 +1   26.3245437 +1     5     1     2
  N     1.36652727 +1  126.2095167 +1 -162.9249341 +1     4     1     2
  C     2.24497132 +1  146.4417344 +1  -41.6384358 +1    10     1     2
  C     1.40047098 +1   73.0083170 +1  179.8129207 +1    27    10     1
  C     1.35673130 +1  141.3140436 +1  138.0820973 +1    10     1     2
  B     1.56502369 +1  124.2897193 +1   -7.7570963 +1    11     2     1
  N     1.36650903 +1  126.2048899 +1   96.6783023 +1     7     1     2
  N     1.37978348 +1   34.4940888 +1   -0.2090470 +1    27    10     1
  C     1.36384199 +1  110.2608670 +1 -173.6224378 +1    25     5     1
  C     1.41140311 +1  108.2907805 +1    0.1875386 +1    33    25     5
  C     1.38024130 +1  126.9045993 +1 -145.5327519 +1     5     1     2
  N     1.37968612 +1   34.4968955 +1   -0.0230570 +1    12     9     1
  C     1.36386234 +1  110.2622256 +1 -173.6028046 +1    20     6     1
  C     1.41142327 +1  108.2942306 +1    0.1799049 +1    37    20     6
  C     1.38024779 +1  126.9092285 +1  144.2503733 +1     6     1     2
  N     1.37971249 +1   34.4957631 +1    0.0378652 +1    21     8     1
  C     1.36383733 +1  110.2622495 +1 -173.5769811 +1    31     7     1
  C     1.41137713 +1  108.2862741 +1    0.1786122 +1    41    31     7
  C     1.38029166 +1  126.8844834 +1  -75.1378123 +1     7     1     2
  C     1.38044378 +1  126.9479460 +1    9.4086159 +1     2     1     3
  C     1.40327564 +1  110.0343613 +1 -173.4777298 +1    44     2     1
  C     1.36386788 +1  110.2614025 +1  173.4700951 +1    11     2     1
  C     1.38041939 +1  126.8845951 +1    8.8624674 +1     4     1     2
  C     1.40333811 +1  110.0370653 +1 -173.5744641 +1    47     4     1
  C     1.36385823 +1  110.2644149 +1  173.5761351 +1    26     4     1
  H     1.07188101 +1  157.6210457 +1   -0.1567276 +1    12     9     1
  H     1.06450606 +1  127.9129343 +1  179.9704835 +1    13    12     9
  H     1.07275365 +1  121.8191272 +1    0.0331857 +1    14     9     1
  H     1.07448872 +1  123.2967746 +1  179.8729542 +1    16    15     3
  H     1.06517160 +1  127.2252125 +1 -179.6051206 +1    17    16    15
  H     1.07593021 +1  121.2088796 +1    4.6975879 +1    18     3     1
  H     1.22960407 +1  105.8123140 +1  171.5050034 +1    19    15     3
  H     1.07273733 +1  121.8191133 +1   -0.0560865 +1    23     8     1
  H     1.06450137 +1  127.9128214 +1  179.9935600 +1    22    21     8
  H     1.07186967 +1  157.6184684 +1   -0.0067607 +1    21     8     1
  H     1.07274087 +1  121.8183930 +1    0.1643205 +1    29    10     1
  H     1.06451051 +1  127.9181496 +1  179.9873164 +1    28    27    10
  H     1.07185901 +1  157.6172689 +1   -0.2661621 +1    27    10     1
  H     1.07597642 +1  121.2149493 +1   -4.9258705 +1    35     5     1
  H     1.06510042 +1  127.2310197 +1  179.5907661 +1    34    33    25
  H     1.07448372 +1  123.3063892 +1 -179.8384613 +1    33    25     5
  H     1.22966797 +1  105.7789530 +1  171.7528532 +1    30    11     2
  H     1.07601199 +1  121.2104850 +1   -4.9406521 +1    39     6     1
  H     1.06511774 +1  127.2300553 +1  179.5880595 +1    38    37    20
  H     1.07448284 +1  123.3056465 +1 -179.8449915 +1    37    20     6
  H     1.07594630 +1  121.2222872 +1   -4.9484105 +1    43     7     1
  H     1.06510541 +1  127.2271924 +1  179.5838084 +1    42    41    31
  H     1.07447439 +1  123.3071459 +1 -179.8543051 +1    41    31     7
  H     1.22956149 +1  133.6082796 +1  179.9994170 +1    24     8     1
  H     1.07450425 +1  123.2978590 +1  179.8765421 +1    46    11     2
  H     1.06517798 +1  127.8859554 +1  179.8351293 +1    45    44     2
  H     1.07588705 +1  121.2139444 +1    5.0321781 +1    44     2     1
  H     1.07447975 +1  123.2979446 +1  179.8658489 +1    49    26     4
  H     1.06516601 +1  127.8853787 +1  179.8554582 +1    48    47     4
  H     1.07595551 +1  121.2058801 +1    4.9413431 +1    47     4     1