Accuracy

Gd_(ZAZQEW) r   6836 Gadolinium complex, CCDC: ZAZQEW (Geo)

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    #  Species Formula
  6826 Europium complex, CCDC: MOYJUF (Geo)C40H28N6O18Eu2
  6827 Europium complex, CCDC: LUHGAW (Geo)C44H28N6O18Eu2
  6828 Europium complex, CCDC: MUHROW (Geo)C56H44N6O18Eu2
  6829 Europium complex, CCDC: MUHRUC (Geo)C60H52N6O22Eu2
  6830 Europium complex, CCDC: COZLEI10 (Geo)C12H12O18F18Eu2
  6831 Europium complex, CCDC: MIHPUO (Geo)C45H21N3O15F36Eu2
  6832 Europium complex, CCDC: MIHPOI (Geo)C34H6O16F42Eu2
  6833 Europium complex, CCDC: FUZZOP (Geo)C17H50N4O16S3Eu2
  6834 Gadolinium complex, CCDC: YUWZOF (Geo)C33H27N6Gd
  6835 Gadolinium complex, CCDC: WEWNOB (Geo)C51H51N6Gd
  6836 Gadolinium complex, CCDC: ZAZQEW (Geo) C76H44N12Gd
  6837 Gadolinium complex, CCDC: ZENGUU (Geo)C48H24N13Gd
  6838 Gadolinium complex, CCDC: GAWBEL (Geo)C64H32N16Gd
  6839 Gadolinium complex, CCDC: OBUJIE (Geo)C64H32N16Gd
  6840 Gadolinium complex, CCDC: YEGTOT (Geo)C64H32N16Gd
  6841 Gadolinium complex, CCDC: GIDQUF (Geo)C18H34N8O2Gd
  6842 Gadolinium complex, CCDC: MIPTOU (Geo)C27H27N4O3Gd
  6843 Gadolinium complex, CCDC: DIQBIO (Geo)C28H24B2N17O3Gd
  6844 Gadolinium complex, CCDC: VEDSEC (Geo)C26H32N6O4Gd
  6845 Gadolinium complex, CCDC: GEGCIE (Geo)C20H42N8O5Gd
  6846 Gadolinium complex, CCDC: WAXCIH (Geo)C11H23N7O6Gd


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: ZAZQEW
 <Gd-N2> <Gd-N3> <> <Gd-N4> <> <> <Gd-N5> <> <> <Gd-N6> <> <> <Gd-N7> GR=CCDC
 Gd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.44680002 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.44780176 +1   78.6933340 +1    0.0000000 +0     1     2     0
  N     2.44824824 +1  142.0719767 +1 -111.9752629 +1     1     2     3
  N     2.44919497 +1   72.2002896 +1 -150.8014742 +1     1     2     3
  N     2.44946922 +1   72.4452061 +1   96.9298172 +1     1     2     3
  N     2.44975231 +1  142.1251178 +1   51.6081309 +1     1     2     3
  N     3.23958868 +1   98.4720309 +1  153.1546612 +1     1     2     3
  N     3.04686828 +1   85.8169764 +1  -67.7985595 +1     1     2     3
  C     0.12591701 +1    3.2614646 +1   -1.0712506 +1     0     0     0
  C     0.80703651 +1    4.5058356 +1   -0.9745932 +1     0     0     0
  C     1.51335418 +1    4.4886078 +1    0.2237758 +1     0     0     0
  C     1.25467823 +1    3.2340777 +1    0.8496956 +1     0     0     0
  C     1.62705878 +1    3.0684871 +1    2.2418879 +1     0     0     0
  C     1.08557906 +1    2.2248165 +1    3.1697723 +1     0     0     0
  C     1.12225709 +1    2.2762514 +1    4.6436738 +1     0     0     0
  C     0.23371789 +1    1.3537629 +1    5.1087622 +1     0     0     0
  C    -0.33321429 +1    0.6660723 +1    3.9270562 +1     0     0     0
  C    -1.35382766 +1   -0.3585057 +1    3.9002359 +1     0     0     0
  C    -2.06155375 +1   -0.8110873 +1    2.8195388 +1     0     0     0
  C    -3.30621183 +1   -1.6179226 +1    3.0461984 +1     0     0     0
  C    -4.01230127 +1   -1.6138777 +1    1.9034779 +1     0     0     0
  C    -3.22148821 +1   -0.8464412 +1    0.8926982 +1     0     0     0
  C    -3.78281344 +1   -0.4626300 +1   -0.3134644 +1     0     0     0
  C    -3.23427227 +1    0.5083935 +1   -1.2029739 +1     0     0     0
  C    -4.00274262 +1    1.2303552 +1   -2.2385634 +1     0     0     0
  C    -3.17457158 +1    2.1640897 +1   -2.7748177 +1     0     0     0
  C    -1.89177236 +1    2.0943203 +1   -2.0500113 +1     0     0     0
  C    -0.91941529 +1    3.0540881 +1   -2.0500109 +1     0     0     0
  C     2.65189696 +1    4.0162883 +1    2.7297289 +1     0     0     0
  C     2.28305118 +1    5.1476519 +1    3.4595180 +1     0     0     0
  C     3.26464022 +1    6.0241290 +1    3.9157170 +1     0     0     0
  C     4.60883997 +1    5.7701906 +1    3.6469583 +1     0     0     0
  C     4.97476621 +1    4.6387837 +1    2.9195347 +1     0     0     0
  C     3.99739426 +1    3.7602283 +1    2.4578840 +1     0     0     0
  C    -1.68003356 +1   -0.9023569 +1    5.2304536 +1     0     0     0
  C    -2.52239041 +1   -0.1949525 +1    6.0914846 +1     0     0     0
  C    -2.81078762 +1   -0.7085378 +1    7.3530565 +1     0     0     0
  C    -2.26125205 +1   -1.9253235 +1    7.7552970 +1     0     0     0
  C    -1.42094954 +1   -2.6304484 +1    6.8955848 +1     0     0     0
  C    -1.12832186 +1   -2.1205339 +1    5.6326378 +1     0     0     0
  C    -5.11497114 +1   -0.9780825 +1   -0.6639310 +1     0     0     0
  C    -6.25893098 +1   -0.2755478 +1   -0.2739591 +1     0     0     0
  C    -7.51973385 +1   -0.7595769 +1   -0.6103472 +1     0     0     0
  C    -7.64320280 +1   -1.9444142 +1   -1.3354426 +1     0     0     0
  C    -6.50387686 +1   -2.6446788 +1   -1.7255828 +1     0     0     0
  C    -5.23949606 +1   -2.1633767 +1   -1.3913012 +1     0     0     0
  C    -1.00576811 +1    4.0785126 +1   -3.1136196 +1     0     0     0
  C    -1.62777934 +1    5.3027880 +1   -2.8597308 +1     0     0     0
  C    -1.71073545 +1    6.2574073 +1   -3.8698061 +1     0     0     0
  C    -1.17451790 +1    5.9911658 +1   -5.1292008 +1     0     0     0
  C    -0.55334455 +1    4.7691668 +1   -5.3800856 +1     0     0     0
  C    -0.46920840 +1    3.8090895 +1   -4.3737269 +1     0     0     0
  C     3.27382872 +1    0.6524636 +1   -0.9813565 +1     0     0     0
  C     4.60826248 +1    0.9136430 +1   -0.3810166 +1     0     0     0
  C     4.62811488 +1    0.2225419 +1    0.8714112 +1     0     0     0
  C     3.28896480 +1   -0.4013559 +1    1.0192156 +1     0     0     0
  N    -0.75177240 +1   -4.0008390 +1    0.6265688 +1     0     0     0
  C     1.87368494 +1   -2.0196398 +1    2.0539205 +1     0     0     0
  C     1.72308450 +1   -3.0987319 +1    3.0617739 +1     0     0     0
  C     0.65888796 +1   -3.9190764 +1    2.5995162 +1     0     0     0
  C     0.15768682 +1   -3.2944004 +1    1.3404454 +1     0     0     0
  N    -0.70031493 +1   -1.9277543 +1   -3.6183588 +1     0     0     0
  C    -1.08277803 +1   -3.8386045 +1   -0.6356561 +1     0     0     0
  C    -2.12571045 +1   -4.5196214 +1   -1.4493204 +1     0     0     0
  C    -2.10943163 +1   -3.8849475 +1   -2.7421642 +1     0     0     0
  C    -1.05606879 +1   -2.8337600 +1   -2.6658483 +1     0     0     0
  N     2.94237846 +1    0.8519890 +1   -2.2338040 +1     0     0     0
  C     0.09005506 +1   -0.8948527 +1   -3.4940986 +1     0     0     0
  C     0.57444629 +1   -0.1972448 +1   -4.7209554 +1     0     0     0
  C     1.68877914 +1    0.5886283 +1   -4.3247074 +1     0     0     0
  C     1.81368191 +1    0.4124803 +1   -2.8562205 +1     0     0     0
  N     2.96782766 +1   -1.2877940 +1    1.9907817 +1     0     0     0
  C     5.67515512 +1    1.6638485 +1   -0.7982949 +1     0     0     0
  C     6.79972591 +1    1.7268138 +1    0.0597023 +1     0     0     0
  C     6.82220254 +1    1.0532142 +1    1.2675044 +1     0     0     0
  C     5.71983533 +1    0.2776588 +1    1.6981510 +1     0     0     0
  C     2.36442562 +1   -3.3546285 +1    4.2466376 +1     0     0     0
  C     1.92044944 +1   -4.4713116 +1    4.9925248 +1     0     0     0
  C     0.88797260 +1   -5.2748694 +1    4.5397905 +1     0     0     0
  C     0.23233125 +1   -5.0086195 +1    3.3157924 +1     0     0     0
  C    -3.02790780 +1   -5.5056789 +1   -1.1583436 +1     0     0     0
  C    -3.93892361 +1   -5.8825959 +1   -2.1779566 +1     0     0     0
  C    -3.92010457 +1   -5.2758452 +1   -3.4178612 +1     0     0     0
  C    -2.99058021 +1   -4.2485022 +1   -3.7220291 +1     0     0     0
  C     0.13444753 +1   -0.2110339 +1   -6.0201042 +1     0     0     0
  C     0.83460983 +1    0.5925039 +1   -6.9481963 +1     0     0     0
  C     1.92514119 +1    1.3552945 +1   -6.5625957 +1     0     0     0
  C     2.37794383 +1    1.3634771 +1   -5.2250463 +1     0     0     0
  H     0.76298876 +1    5.3099189 +1   -1.6786029 +1     0     0     0
  H     2.11183619 +1    5.2818799 +1    0.6205677 +1     0     0     0
  H     1.73164898 +1    2.9627029 +1    5.1966927 +1     0     0     0
  H    -0.03931969 +1    1.1267037 +1    6.1172727 +1     0     0     0
  H    -3.54646609 +1   -2.0594774 +1    3.9946275 +1     0     0     0
  H    -4.97119400 +1   -2.0433805 +1    1.6866956 +1     0     0     0
  H    -5.02589844 +1    1.0167527 +1   -2.4718885 +1     0     0     0
  H    -3.37631712 +1    2.8805339 +1   -3.5487707 +1     0     0     0
  H     1.22852971 +1    5.3426625 +1    3.6592190 +1     0     0     0
  H     2.97916447 +1    6.9102714 +1    4.4819642 +1     0     0     0
  H     5.37371968 +1    6.4573007 +1    4.0033538 +1     0     0     0
  H     6.02259589 +1    4.4425313 +1    2.7087889 +1     0     0     0
  H     4.28099088 +1    2.8827481 +1    1.8856220 +1     0     0     0
  H    -2.94818704 +1    0.7555328 +1    5.7678245 +1     0     0     0
  H    -3.46698830 +1   -0.1571333 +1    8.0258498 +1     0     0     0
  H    -2.48786637 +1   -2.3249715 +1    8.7415585 +1     0     0     0
  H    -0.99278355 +1   -3.5782934 +1    7.2102583 +1     0     0     0
  H    -0.47147857 +1   -2.6656581 +1    4.9622247 +1     0     0     0
  H    -6.15304607 +1    0.6501993 +1    0.2925220 +1     0     0     0
  H    -8.41059996 +1   -0.2109182 +1   -0.3061361 +1     0     0     0
  H    -8.62931094 +1   -2.3213508 +1   -1.5972965 +1     0     0     0
  H    -6.59952132 +1   -3.5663537 +1   -2.2924642 +1     0     0     0
  H    -4.35498532 +1   -2.7098479 +1   -1.6996054 +1     0     0     0
  H    -2.03883149 +1    5.5044698 +1   -1.8692204 +1     0     0     0
  H    -2.19449963 +1    7.2137710 +1   -3.6732865 +1     0     0     0
  H    -1.24099449 +1    6.7384377 +1   -5.9174899 +1     0     0     0
  H    -0.13430175 +1    4.5623355 +1   -6.3614302 +1     0     0     0
  H     0.01395026 +1    2.8577835 +1   -4.5731667 +1     0     0     0
  H     5.66127507 +1    2.2056760 +1   -1.7478014 +1     0     0     0
  H     7.65943385 +1    2.3290369 +1   -0.2489199 +1     0     0     0
  H     7.70045777 +1    1.1190241 +1    1.9159056 +1     0     0     0
  H     5.73972062 +1   -0.2425634 +1    2.6594386 +1     0     0     0
  H     3.17553676 +1   -2.7186244 +1    4.6109021 +1     0     0     0
  H     2.40676995 +1   -4.6901227 +1    5.9475453 +1     0     0     0
  H     0.55911065 +1   -6.1316783 +1    5.1343012 +1     0     0     0
  H    -0.58958581 +1   -5.6387832 +1    2.9663895 +1     0     0     0
  H    -3.06117372 +1   -5.9836934 +1   -0.1760648 +1     0     0     0
  H    -4.66982899 +1   -6.6660709 +1   -1.9599420 +1     0     0     0
  H    -4.63447159 +1   -5.5768200 +1   -4.1892631 +1     0     0     0
  H    -2.99405102 +1   -3.7639446 +1   -4.7020187 +1     0     0     0
  H    -0.72574432 +1   -0.8097243 +1   -6.3284258 +1     0     0     0
  H     0.49798936 +1    0.6064076 +1   -7.9884307 +1     0     0     0
  H     2.44998616 +1    1.9698007 +1   -7.2987747 +1     0     0     0
  H     3.23350062 +1    1.9719855 +1   -4.9197584 +1     0     0     0