Accuracy

Gd_(YIYLAT) r   6869 Gadolinium complex, CCDC: YIYLAT (Geo)

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    #  Species Formula
  6859 Gadolinium complex, CCDC: LASZOU (Geo)C17H28N5O9Gd
  6860 Gadolinium complex, CCDC: WALQAB (Geo)C18H30N5O9Gd
  6861 Gadolinium complex, CCDC: VETDON (Geo)C18H32N5O9Gd
  6862 Gadolinium complex, CCDC: YOVFIY01 (Geo)C28H36N5O9Gd
  6863 Gadolinium complex, CCDC: PADEGA10 (Geo)C14H14N7O9Gd
  6864 Gadolinium complex, CCDC: ZIPJIR (Geo)C17H28N5O10Gd
  6865 Gadolinium complex, CCDC: BIFZEV (Geo)C10H18N2O11Gd
  6866 Gadolinium complex, CCDC: WAVPAK (Geo)C42H56N6O11Gd
  6867 Gadolinium complex, CCDC: ZAXQAQ (Geo)C27H34N7O11Gd
  6868 Gadolinium complex, CCDC: LANITB (Geo)H6N3O12Gd
  6869 Gadolinium complex, CCDC: YIYLAT (Geo) C22H28N3O12Gd
  6870 Gadolinium complex, CCDC: LOKNEE (Geo)C18H24N4O12Gd
  6871 Gadolinium complex, CCDC: GIRKUN (Geo)C21H36N7O12Gd
  6872 Gadolinium complex, CCDC: XUBGUW (Geo)H22BC18N8O12Gd
  6873 Gadolinium complex, CCDC: NAVWIQ (Geo)C26H36N9O12Gd
  6874 Gadolinium complex, CCDC: NIGHEQ (Geo)C46H34N14O12Gd
  6875 Gadolinium complex, CCDC: PUZHUN (Geo)C28H34N11O13Gd
  6876 Gadolinium complex, CCDC: PEBDOP (Geo)C8H20O15Gd
  6877 Gadolinium complex, CCDC: FUHQUU (Geo)C12H12O15Gd
  6878 Gadolinium complex, CCDC: TUFLUB (Geo)C12H15O15Gd
  6879 Gadolinium complex, CCDC: HEDMIM (Geo)C24H38N3O20Gd


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=-2.0
Gadolinium complex, CCDC: YIYLAT
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <Gd-O7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34069994 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36046157 +1   76.9883947 +1    0.0000000 +0     1     2     0
  O     2.36629996 +1   94.3436557 +1  109.0777544 +1     1     2     3
  O     2.38758699 +1  157.0498717 +1 -153.6570065 +1     1     2     3
  O     2.41660005 +1  116.0220079 +1  -61.9342167 +1     1     2     3
  O     2.46380004 +1   73.5041591 +1 -147.6437331 +1     1     2     3
  N     3.52856973 +1  115.4955113 +1   61.6011399 +1     1     2     3
  N     3.51122418 +1  151.0858311 +1   -7.5632172 +1     1     2     3
  N     3.11430486 +1   78.6392005 +1  -50.4301999 +1     2     1     3
  O     2.84493814 +1  112.1478372 +1 -161.7494338 +1    10     2     1
  O     2.25721981 +1  178.7515004 +1   -1.6410476 +1     3     1     2
  O     2.23547049 +1  179.9097744 +1 -162.6561965 +1     4     1     2
  O     2.22259211 +1  155.4125130 +1  -97.7183644 +1     2     1     3
  O     2.22723124 +1  179.9967838 +1  138.9207596 +1     5     1     2
  O     2.23952320 +1  174.7803393 +1  133.7963443 +1     6     1     2
  C     2.41208126 +1  133.2207987 +1  -87.8396026 +1    11    10     2
  C     1.40149847 +1   92.0382109 +1  -31.3158079 +1    17    11    10
  C     1.39544223 +1  120.0612569 +1  160.4677054 +1    18    17    11
  C     1.39722792 +1  120.0055379 +1    0.7870814 +1    19    18    17
  C     1.39175954 +1  119.7785936 +1   -1.4605879 +1    20    19    18
  C     1.39336355 +1  142.3645876 +1  119.3724049 +1    17    11    10
  C     1.40766910 +1  168.7904072 +1  -93.2786547 +1    11    10     2
  C     1.43066408 +1   64.2418383 +1  -12.9483778 +1    11    10     2
  C     1.46724022 +1   58.3783044 +1 -145.7562762 +1    10     2     1
  C     1.21320835 +1   29.2892525 +1   40.2846234 +1    14     2     1
  C     1.47455484 +1  101.4383210 +1  103.5402684 +1    10     2     1
  C     1.22252375 +1   26.0979400 +1   57.9828174 +1    12     3     1
  C     1.50141957 +1  145.6226606 +1  -48.1456299 +1    10     2     1
  C     1.50582655 +1  109.0917840 +1  -28.8499662 +1     8     1     2
  C     1.48934570 +1  104.6177040 +1   87.0755711 +1     8     1     2
  C     1.21901568 +1   27.5246144 +1   31.9235737 +1    13     4     1
  C     1.51767575 +1  112.7756801 +1 -155.6736081 +1     8     1     2
  C     1.51698006 +1  111.3959242 +1   74.1515989 +1     9     1     2
  C     1.47197628 +1  108.4435347 +1 -158.2780625 +1     9     1     2
  C     1.22329865 +1   26.8670390 +1   15.2510443 +1    15     5     1
  C     1.48348617 +1  102.2506679 +1  -42.4341889 +1     9     1     2
  C     1.22145436 +1   27.1165976 +1   -0.1679884 +1    16     6     1
  H     1.09506025 +1  119.3265096 +1  -17.6716855 +1    18    17    11
  H     1.08942297 +1  119.9229255 +1 -178.7934455 +1    19    18    17
  H     1.08510053 +1  120.0822248 +1  179.4496014 +1    20    19    18
  H     1.08436903 +1  120.1139363 +1 -178.2984107 +1    21    20    19
  H     1.08609553 +1  120.4267700 +1   31.9861563 +1    22    17    11
  H     1.10462814 +1  110.1596557 +1  133.0483034 +1    23    11    10
  H     1.10945575 +1  102.1170279 +1 -111.5898229 +1    23    11    10
  H     1.10439087 +1  110.5659404 +1  143.5701001 +1    24    11    10
  H     1.10055619 +1  109.1155099 +1  -97.3566125 +1    24    11    10
  H     1.12036808 +1  110.2821966 +1  107.5779715 +1    25    10     2
  H     1.10451983 +1  115.6046460 +1   68.4139634 +1    27    10     2
  H     1.11083635 +1  113.7590940 +1 -171.7261669 +1    27    10     2
  H     1.11373231 +1  111.1966028 +1 -163.6032051 +1    29    10     2
  H     1.10779539 +1  110.8235988 +1  -47.6709466 +1    29    10     2
  H     1.11091781 +1  111.5593294 +1  169.1697578 +1    30     8     1
  H     1.11040602 +1  109.1872547 +1  -74.3645748 +1    30     8     1
  H     1.11125401 +1  113.9596804 +1   97.6403208 +1    31     8     1
  H     1.10567879 +1  114.6841692 +1 -142.6490230 +1    31     8     1
  H     1.11323011 +1  109.8027696 +1  152.4669606 +1    33     8     1
  H     1.11262776 +1  108.7781500 +1  -92.5491474 +1    33     8     1
  H     1.10931521 +1  110.7416036 +1  160.9734243 +1    34     9     1
  H     1.11914114 +1  106.7851780 +1  -84.7963226 +1    34     9     1
  H     1.11511443 +1  113.7053194 +1  106.9805265 +1    35     9     1
  H     1.09906010 +1  115.4304939 +1 -131.3991690 +1    35     9     1
  H     1.10997371 +1  114.2430341 +1   79.6820926 +1    37     9     1
  H     1.10244906 +1  114.8397012 +1 -158.5077946 +1    37     9     1
  H     0.99238736 +1  132.6214709 +1  -31.8634419 +1     7     1     2
  H     0.98762506 +1  125.7798615 +1  142.2597387 +1     7     1     2