Accuracy

Gd_(GAKYAS) r   6886 Gadolinium complex, CCDC: GAKYAS (Geo)

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    #  Species Formula
  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
  6884 Gadolinium complex, CCDC: WIRTUM (Geo)C39H105N4O3Si12Gd
  6885 Gadolinium complex, CCDC: JARBUZ (Geo)C14H25N3O14PSGd
  6886 Gadolinium complex, CCDC: GAKYAS (Geo) C14H26O12S2Gd
  6887 Gadolinium complex, CCDC: DIYNEE (Geo)C20H26O12S2Gd
  6888 Gadolinium complex, CCDC: NIVQEO (Geo)C41H35N4O10F18Cl2G
  6889 Gadolinium complex, CCDC: ADUPEU (Geo)C27H24N4O3Cl3Gd
  6890 Gadolinium complex, CCDC: PALHAL (Geo)C54H66N8O6Gd2
  6891 Gadolinium complex, CCDC: ZUNCAM (Geo)C36H38N8O10Gd2
  6892 Gadolinium complex, CCDC: CULNIG10 (Geo)C36H24O12Gd2
  6893 Gadolinium complex, CCDC: EHAXEQ (Geo)C66H46N4O12Gd2
  6894 Gadolinium complex, CCDC: YEWGEM (Geo)C54H98O14Gd2
  6895 Gadolinium complex, CCDC: NIGXAC (Geo)C42H34N8O14Gd2
  6896 Gadolinium complex, CCDC: ACAQGD (Geo)C12H26O16Gd2


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=1.0
Gadolinium complex, CCDC: GAKYAS
 <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     2.34130902 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37250026 +1   67.6421622 +1    0.0000000 +0     1     2     0
  O     2.38314850 +1  166.5893359 +1  130.6352625 +1     1     2     3
  O     2.38859937 +1   99.7283787 +1  170.7780406 +1     1     2     3
  O     2.40240020 +1  121.5428817 +1 -100.0853073 +1     1     2     3
  O     2.40640039 +1   67.8503717 +1   91.9333486 +1     1     2     3
  O     4.91965705 +1   83.0770767 +1   96.1981703 +1     1     2     3
  O     4.87410341 +1   82.7247696 +1  170.8353077 +1     1     2     3
  S     1.51638067 +1  144.6361307 +1  -42.4443286 +1     2     1     3
  S     1.51743479 +1  148.3300008 +1  100.8562280 +1     4     1     2
  O     1.46290216 +1  108.6684605 +1  -58.5771518 +1    10     2     1
  O     1.60358496 +1  107.3791336 +1   53.1958546 +1    11     4     1
  O     1.60070617 +1  107.8553345 +1   63.0625719 +1    10     2     1
  O     1.44717847 +1  110.1434331 +1  -69.1028218 +1    11     4     1
  C     1.71111413 +1  112.6598452 +1  176.2121639 +1    10     2     1
  C     1.40116395 +1  119.6859101 +1   94.5538309 +1    16    10     2
  C     1.38800914 +1  120.2751895 +1 -179.6569335 +1    17    16    10
  C     1.40184774 +1  120.3493230 +1   -0.5347084 +1    18    17    16
  C     1.39876446 +1  119.3155471 +1   -0.4138349 +1    19    18    17
  C     1.39946861 +1  120.8907759 +1  -86.4808105 +1    16    10     2
  C     1.48494200 +1  119.8609736 +1 -179.8001518 +1    19    18    17
  C     1.71757270 +1  111.6698782 +1  165.4646909 +1    11     4     1
  C     1.40027189 +1  119.4507947 +1   93.7954178 +1    23    11     4
  C     1.38845438 +1  120.2674356 +1  179.9265471 +1    24    23    11
  C     1.40135854 +1  120.3200387 +1   -0.4078669 +1    25    24    23
  C     1.39834037 +1  119.3383736 +1   -0.4470745 +1    26    25    24
  C     1.39828513 +1  121.0633789 +1  -87.5872483 +1    23    11     4
  C     1.48550634 +1  119.8577791 +1 -179.6762293 +1    26    25    24
  H     0.96335095 +1  125.4058636 +1   -5.8855922 +1     8     1     2
  H     1.03862132 +1  123.4115764 +1  -15.1044605 +1     7     1     2
  H     0.96109378 +1  123.1593424 +1  -98.7468750 +1     9     1     2
  H     0.93267437 +1  151.4641323 +1    4.0173551 +1     6     1     2
  H     1.77475615 +1  125.6617240 +1    2.7509887 +1     3     1     2
  H     1.02905685 +1  141.3595843 +1   -1.3898566 +1     5     1     2
  H     1.01909566 +1  123.6891441 +1  175.9070052 +1     5     1     2
  H     0.96182684 +1  114.6063981 +1 -139.3896146 +1     8     1     2
  H     0.96293447 +1  124.0523084 +1  114.1506340 +1     9     1     2
  H     0.93343300 +1  150.6644665 +1 -162.7858105 +1     3     1     2
  H     1.75275525 +1  124.6653888 +1 -170.5921171 +1     6     1     2
  H     1.01984944 +1  142.3611034 +1  164.3806537 +1     7     1     2
  H     1.09639638 +1  121.0453338 +1    1.0217926 +1    17    16    10
  H     1.09030934 +1  119.9240700 +1  179.8246330 +1    18    17    16
  H     1.09112898 +1  119.9385855 +1 -179.1941074 +1    20    19    18
  H     1.09785856 +1  121.2273827 +1   -1.0067276 +1    21    16    10
  H     1.10406293 +1  111.3806952 +1   64.9429281 +1    22    19    18
  H     1.10254237 +1  111.9121786 +1  -54.1842353 +1    22    19    18
  H     1.10064055 +1  113.3754038 +1 -174.8701000 +1    22    19    18
  H     1.09616576 +1  121.0253541 +1    0.8216990 +1    24    23    11
  H     1.08996071 +1  119.9234613 +1 -179.9384955 +1    25    24    23
  H     1.09076469 +1  119.9660506 +1 -179.1993829 +1    27    26    25
  H     1.09763899 +1  121.2535107 +1   -0.9091520 +1    28    23    11
  H     1.10399749 +1  111.2594080 +1   66.7394301 +1    29    26    25
  H     1.10199402 +1  111.9847516 +1  -52.4251534 +1    29    26    25
  H     1.10042020 +1  113.3180640 +1 -173.1814597 +1    29    26    25