Accuracy

Gd_(NAVWIQ) r   6873 Gadolinium complex, CCDC: NAVWIQ (Geo)

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    #  Species Formula
  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
  6880 Gadolinium complex, CCDC: LEJVEB (Geo)C12H16N6O20Gd
  6881 Gadolinium complex, CCDC: XIVFOX (Geo)C27H19N3O7F18Gd
  6882 Gadolinium complex, CCDC: FONMEA (Geo)C41H37N4O10F18Gd
  6883 Gadolinium complex, CCDC: ZIZNUR (Geo)C41H37N4O10F18Gd


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
Gadolinium complex, CCDC: NAVWIQ
 <Gd-O2> <Gd-O3> <> <Gd-O4> <> <> <Gd-O5> <> <> <Gd-O6> <> <> <> <> <> <Gd-O8> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.29779996 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31669997 +1  139.5617375 +1    0.0000000 +0     1     2     0
  O     2.35630000 +1   67.7190354 +1   20.4273152 +1     1     2     3
  O     2.47263251 +1   88.7308180 +1 -170.9159862 +1     1     2     3
  O     2.48280811 +1  118.3964220 +1   94.8174011 +1     1     2     3
  O     2.15460033 +1  149.9543028 +1    3.2477364 +1     6     1     2
  O     2.49628838 +1   87.9291517 +1  -69.8767902 +1     1     2     3
  O     2.15670163 +1  158.4694908 +1  161.3055191 +1     5     1     2
  O     2.16038352 +1  140.8999352 +1   83.1240066 +1     8     1     2
  N     1.21305626 +1   32.2456141 +1 -178.6546407 +1     9     5     1
  N     3.47739028 +1  170.9542567 +1  103.0392407 +1     3     1     2
  N     1.29618966 +1  179.9975684 +1   -0.9273931 +1     6     1     2
  C     1.24412292 +1  160.7962828 +1   49.3334856 +1     3     1     2
  C     1.41213064 +1   80.5839912 +1  -85.3173842 +1    12     3     1
  C     1.38250635 +1  109.7239257 +1   -2.7199083 +1    15    12     3
  C     2.42611872 +1   57.0376534 +1   93.7231440 +1    12     3     1
  C     1.39845873 +1  107.8511238 +1  103.3426374 +1    17    12     3
  C     1.39195844 +1  118.6129222 +1  149.5915253 +1    18    17    12
  C     1.39471750 +1  120.2527926 +1   -0.4890168 +1    19    18    17
  C     1.39419648 +1  120.4294873 +1   -0.4688904 +1    20    19    18
  C     1.39888145 +1  121.6398528 +1 -108.5168400 +1    17    12     3
  C     1.47045411 +1  137.5989987 +1   39.8391842 +1    12     3     1
  C     1.47347565 +1  119.6876585 +1 -177.7157974 +1    15    12     3
  C     2.40510384 +1  106.5879329 +1  156.5025805 +1    16    15    12
  C     2.44370624 +1   59.1453679 +1  105.5656789 +1    25    16    15
  N     1.29509542 +1  170.9192766 +1   78.5743349 +1     8     1     2
  O     1.22423245 +1  124.5957054 +1  179.7059556 +1    11     9     5
  O     1.21782226 +1  118.0426977 +1 -174.1107868 +1    27     8     1
  C     1.24692082 +1  173.8941179 +1  -82.8704939 +1     2     1     3
  C     2.30014023 +1  165.2725657 +1   61.5295468 +1    30     2     1
  C     1.38621320 +1   37.6407507 +1   -5.3083676 +1    31    30     2
  C     2.57134633 +1   99.8355384 +1 -132.4505549 +1    30     2     1
  C     1.39965672 +1  110.7348872 +1  -83.6617636 +1    33    30     2
  C     1.39103596 +1  118.7331600 +1  152.2117026 +1    34    33    30
  C     1.39566802 +1  120.2574976 +1    0.9311016 +1    35    34    33
  C     1.39265774 +1  120.3495597 +1    0.8609078 +1    36    35    34
  C     1.39457973 +1  120.3308709 +1   -0.6710931 +1    37    36    35
  C     2.51215781 +1   95.9649709 +1 -173.2416094 +1    31    30     2
  C     1.47300548 +1  167.6391175 +1   -5.0787855 +1    31    30     2
  C     2.39580054 +1  109.9349223 +1  144.1509611 +1    32    31    30
  C     2.44796889 +1   59.2314061 +1  102.6663915 +1    41    32    31
  O     1.22260601 +1  117.7979262 +1 -174.2839148 +1    13     6     1
  N     1.42048259 +1  131.8669000 +1  177.0310826 +1    32    31    30
  N     1.42166626 +1  130.4480826 +1 -173.7622274 +1    16    15    12
  N     1.39926706 +1  121.1653610 +1  138.7980412 +1    14     3     1
  N     1.40451192 +1  123.3540145 +1 -121.2012215 +1    30     2     1
  N     1.40388896 +1   71.8450185 +1  169.2223218 +1    31    30     2
  H     1.01278696 +1  129.5067753 +1    7.4930437 +1     4     1     2
  H     1.09002349 +1  120.7912426 +1  -31.1114885 +1    18    17    12
  H     1.09013513 +1  119.6614458 +1  178.6319917 +1    19    18    17
  H     1.09023828 +1  119.7777839 +1  178.9795593 +1    20    19    18
  H     1.09079015 +1  120.1962029 +1  179.4422522 +1    21    20    19
  H     1.09605850 +1  120.7372520 +1   36.9184488 +1    22    17    12
  H     1.10915137 +1  109.4821929 +1   75.1123321 +1    23    12     3
  H     1.10569007 +1  113.2945490 +1  -45.3675889 +1    23    12     3
  H     1.10388767 +1  108.8650313 +1 -167.5385238 +1    23    12     3
  H     1.10611075 +1  111.3747578 +1   55.9343303 +1    24    15    12
  H     1.10331352 +1  112.3374344 +1  -64.3096415 +1    24    15    12
  H     1.10180453 +1  112.4621341 +1  175.3444937 +1    24    15    12
  H     1.09839779 +1  103.1976227 +1   23.6194783 +1    25    16    15
  H     1.10461846 +1   86.1279579 +1  -83.7988405 +1    25    16    15
  H     1.10318804 +1  139.5952851 +1  163.3587079 +1    25    16    15
  H     1.10886423 +1  143.9163256 +1   43.0977093 +1    26    25    16
  H     1.09807016 +1   97.3858341 +1  -90.8664220 +1    26    25    16
  H     1.10127079 +1   88.3999539 +1  160.3637150 +1    26    25    16
  H     1.08892251 +1  120.8598402 +1  -26.8268579 +1    34    33    30
  H     1.09045596 +1  119.6639425 +1 -177.9120435 +1    35    34    33
  H     1.09060356 +1  119.8702539 +1 -178.2009590 +1    36    35    34
  H     1.09284715 +1  120.3957238 +1 -178.0605222 +1    37    36    35
  H     1.09138620 +1  119.9903773 +1 -178.6170102 +1    38    37    36
  H     1.10569498 +1  104.7105760 +1   76.1698906 +1    39    31    30
  H     1.11078807 +1  135.4794331 +1  -60.1608832 +1    39    31    30
  H     1.10347036 +1   88.5879348 +1 -174.3147315 +1    39    31    30
  H     1.10385630 +1  112.1905922 +1 -117.7425706 +1    40    31    30
  H     1.10584058 +1  111.7506363 +1  121.7778319 +1    40    31    30
  H     1.10270502 +1  112.3153805 +1    2.1974740 +1    40    31    30
  H     1.09911673 +1   90.3350357 +1   -1.9942828 +1    41    32    31
  H     1.10599759 +1   96.5816966 +1 -109.4862101 +1    41    32    31
  H     1.10064212 +1  142.6901808 +1  119.2827630 +1    41    32    31
  H     1.10485598 +1  143.9200641 +1   38.8508190 +1    42    41    32
  H     1.09793764 +1   96.2817275 +1  -93.5468237 +1    42    41    32
  H     1.10278652 +1   89.4797987 +1  158.0064213 +1    42    41    32
  H     1.02488596 +1  128.0420165 +1 -161.9101350 +1     4     1     2