Accuracy

Pr_(GIWWEO) r   6553 Praseodymium complex, CCDC: GIWWEO (Geo)

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    #  Species Formula
  6543 Cerium complex, CCDC: HIDLUB (Geo)C29H38N5O4S3Ce
  6544 Cerium complex, CCDC: PIDBAF (Geo)C11H20N3O6S3Ce
  6545 Cerium complex, CCDC: GAPFIM (Geo)H6O13S4Ce
  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


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=3.0
Praseodymium complex, CCDC: GIWWEO
 <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     2.58019959 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.58259976 +1   85.2057183 +1    0.0000000 +0     1     2     0
  N     2.58390023 +1   84.2964200 +1  -85.0604850 +1     1     2     3
  N     2.60279953 +1  116.6465446 +1   86.3469554 +1     1     2     3
  N     2.59020036 +1  157.7988131 +1  -46.6008560 +1     1     2     3
  N     2.59060000 +1  115.4935838 +1 -174.5131443 +1     1     2     3
  N     3.52134739 +1   67.8365935 +1  135.6378988 +1     1     2     3
  N     3.75439157 +1   62.1027823 +1 -145.5181260 +1     1     2     3
  N     3.78123351 +1   61.6201242 +1   59.2959452 +1     1     2     3
  C     1.16656914 +1  176.7300994 +1   46.0791842 +1     7     1     2
  C     1.42385773 +1  179.7162675 +1   72.7069804 +1    11     7     6
  C     1.16713213 +1  179.8674480 +1 -139.6652135 +1     4     1     2
  C     1.42332055 +1  179.7179836 +1  -35.1802013 +1    13     4     2
  C     1.16062734 +1  178.7182084 +1 -108.4623591 +1     9     1     2
  C     1.43173801 +1  179.8109812 +1   -1.7373503 +1    15     9     2
  C     1.16635919 +1  179.2263640 +1  -69.8520065 +1     5     1     2
  C     1.42402263 +1  179.7793487 +1  146.0975271 +1    17     5     6
  C     1.16727247 +1  176.9062684 +1   99.9017210 +1     3     1     2
  C     1.42326236 +1  179.6965394 +1  128.0631389 +1    19     3     6
  C     1.16053828 +1  175.9540654 +1  103.1363134 +1    10     1     2
  C     1.43172525 +1  179.9796782 +1   33.4961947 +1    21    10     2
  C     1.16767833 +1  179.8120724 +1  -36.9991856 +1     6     1     2
  C     1.42270491 +1  179.9545243 +1 -105.4228250 +1    23     6     7
  C     1.16597083 +1  176.3541690 +1 -118.6933855 +1     2     1     3
  C     1.42452021 +1  179.8618870 +1   32.6345839 +1    25     2     3
  C     1.16059960 +1  179.9166661 +1  -81.3533991 +1     8     1     2
  C     1.43131484 +1  179.9395975 +1  -57.7342492 +1    27     8     7
  H     1.11743253 +1  113.2039412 +1  -63.6356683 +1    12    11     7
  H     1.11651966 +1  113.0099939 +1  176.1724930 +1    12    11     7
  H     1.11807187 +1  112.9768132 +1   56.2573434 +1    12    11     7
  H     1.11849974 +1  113.0094354 +1  -74.1620033 +1    14    13    20
  H     1.11766759 +1  113.0357905 +1  166.0016738 +1    14    13    20
  H     1.11754277 +1  113.3028338 +1   45.8230177 +1    14    13    20
  H     1.11360676 +1  112.6177800 +1   49.0151021 +1    16    15     9
  H     1.11364060 +1  112.5604283 +1  -70.8606074 +1    16    15     9
  H     1.11284988 +1  112.7181894 +1  169.0539482 +1    16    15     9
  H     1.11771034 +1  112.9119684 +1   87.4005724 +1    18    17     5
  H     1.11706696 +1  112.9694415 +1  -32.4353507 +1    18    17     5
  H     1.11712019 +1  113.3201130 +1 -152.5941499 +1    18    17     5
  H     1.11738889 +1  113.2214246 +1 -173.3310278 +1    20    19     3
  H     1.11820880 +1  112.9362922 +1   66.7495701 +1    20    19     3
  H     1.11808079 +1  113.1929104 +1  -53.0603784 +1    20    19     3
  H     1.11354384 +1  112.5545570 +1  -56.9854768 +1    22    21    10
  H     1.11327205 +1  112.6782965 +1 -176.8912743 +1    22    21    10
  H     1.11292832 +1  112.6318141 +1   62.9719153 +1    22    21    10
  H     1.11839831 +1  113.2151685 +1  -89.2914083 +1    24    23    12
  H     1.11826488 +1  113.2629040 +1  150.6920532 +1    24    23    12
  H     1.11846609 +1  113.2255647 +1   30.6678946 +1    24    23    12
  H     1.11634078 +1  112.8906211 +1 -123.0558119 +1    26    25     2
  H     1.11664538 +1  112.9492793 +1  116.9757258 +1    26    25     2
  H     1.11739524 +1  113.0783275 +1   -3.0182189 +1    26    25     2
  H     1.11325306 +1  112.6732206 +1  101.2000769 +1    28    27     8
  H     1.11360372 +1  112.5964204 +1  -18.7745946 +1    28    27     8
  H     1.11330763 +1  112.6523033 +1 -138.7612497 +1    28    27     8