Accuracy

Lu_(SUDDOK) r   7179 Lutetium complex, CCDC: SUDDOK (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7169 Lutetium complex, CCDC: PUDTIR (Geo)C28H36N5O9Lu
  7170 Lutetium complex, CCDC: EFIZEY (Geo)C15H11N6O9Lu
  7171 Lutetium complex, CCDC: RADRIX (Geo)C20H16N7O9Lu
  7172 Lutetium complex, CCDC: RADROD (Geo)C24H16N7O9Lu
  7173 Lutetium complex, CCDC: EFIZOI (Geo)C17H17N6O10Lu
  7174 Lutetium complex, CCDC: POHDIZ (Geo)C2H7N4O11Lu
  7175 Lu(III)O8(-) (OGEYEE) (Geo)C8H12O12Lu
  7176 Lu(III)O8(-) (OGEYEE)C8H12O12Lu
  7177 Lutetium complex, CCDC: HELGUA (Geo)H6N3O12Lu
  7178 Lutetium complex, CCDC: XONZOP (Geo)C46H48NO4Si2Lu
  7179 Lutetium complex, CCDC: SUDDOK (Geo) C14H26O12S2Lu
  7180 Lutetium complex, CCDC: FEWKEX (Geo)C36H30N3O12S3Lu
  7181 Lu(III)N6(3-) (PUKRUI) (Geo)C6N6S6Lu
  7182 Lu(III)N6(3-) (PUKRUI)C6N6S6Lu
  7183 Lu(Cp)2N2Cl (BIVBIR)a (Geo)C18H28N2ClLu
  7184 Lu(Cp)2N2Cl (BIVBIR)aC18H28N2ClLu
  7185 Lu(III)(Cp)2OCl (FATGIQ10) (Geo)C14H18OClLu
  7186 Lu(III)(Cp)2OCl (FATGIQ10)C14H18OClLu
  7187 Lu(Cp)2O2Cl (AXOMUV) (Geo)C28H30O2ClLu
  7188 Lu(Cp)2O2Cl (AXOMUV)C28H30O2ClLu
  7189 Lu(Cp)2Cl2(-) (BISVEE) (Geo)C21H18Cl2Lu


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
Lutetium complex, CCDC: SUDDOK
 <Lu-O2> <Lu-O3> <> <Lu-O4> <> <> <Lu-O5> <> <> <Lu-O6> <> <> <Lu-O7> GR=CCDC
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.27647585 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27649955 +1   92.3957034 +1    0.0000000 +0     1     2     0
  O     2.28790000 +1   94.0267294 +1 -151.8373497 +1     1     2     3
  O     2.31200007 +1   99.4799546 +1   69.5722075 +1     1     2     3
  O     2.31760045 +1  142.4556235 +1  -62.0570968 +1     1     2     3
  O     2.32640128 +1  144.1331151 +1  139.9803812 +1     1     2     3
  O     2.25275092 +1   71.5620435 +1  134.6089154 +1     1     2     3
  O     2.24350036 +1   69.0310038 +1  -79.7195159 +1     1     2     3
  S     1.59914297 +1  150.5139554 +1 -111.9392156 +1     2     1     3
  O     1.51409734 +1  100.4371815 +1  -19.3607832 +1    10     2     1
  O     2.40731910 +1  115.5065913 +1  154.2673575 +1     7     1     2
  C     1.73697262 +1  105.3372843 +1 -132.0683060 +1    10     2     1
  C     1.39617429 +1  120.0488507 +1   89.8833686 +1    13    10     2
  C     1.39041628 +1  120.1116888 +1 -178.6608891 +1    14    13    10
  C     1.40005119 +1  120.2595593 +1   -0.5413709 +1    15    14    13
  C     1.39904835 +1  119.4170484 +1   -0.4518123 +1    16    15    14
  C     1.39606463 +1  120.1208150 +1  -90.3831832 +1    13    10     2
  C     1.48605430 +1  120.0171983 +1 -179.1246707 +1    16    15    14
  S     1.48557345 +1   40.1883962 +1 -141.0033544 +1    12     7     1
  O     1.44647212 +1  111.6089226 +1  107.4068911 +1    10     2     1
  O     1.49032048 +1  116.3448632 +1  109.8254126 +1    20    12     7
  C     1.71892740 +1  112.1285527 +1 -119.0589961 +1    20    12     7
  C     1.39873691 +1  120.1853380 +1 -158.1950717 +1    23    20    12
  C     1.38898430 +1  120.0535099 +1 -178.7170757 +1    24    23    20
  C     1.40129821 +1  120.3346248 +1   -0.6666279 +1    25    24    23
  C     1.39915763 +1  119.4144173 +1   -0.3500751 +1    26    25    24
  C     1.39770740 +1  120.0263701 +1   21.4895048 +1    23    20    12
  C     1.48526398 +1  119.8597199 +1  179.8693869 +1    26    25    24
  H     0.98620836 +1  106.9101092 +1  -46.4505753 +1     4     1     2
  H     1.04405506 +1  112.4441627 +1 -155.6038569 +1     4     1     2
  H     1.07841856 +1  117.7213401 +1   -8.0317924 +1     8     1     2
  H     0.96131675 +1  136.2372068 +1  164.8036224 +1     8     1     2
  H     1.01165967 +1   99.4644552 +1   36.9692256 +1     9     1     2
  H     0.99953315 +1  105.9954910 +1  -67.1897527 +1     9     1     2
  H     0.99091300 +1  115.0442979 +1   65.9261948 +1     3     1     2
  H     0.99388490 +1  110.6839721 +1 -178.6101517 +1     3     1     2
  H     1.03293923 +1  115.2330108 +1 -159.9942225 +1     6     1     2
  H     0.97596019 +1  122.4332997 +1  -34.7273974 +1     6     1     2
  H     0.99772673 +1  103.0943309 +1   33.8165840 +1     5     1     2
  H     1.01290716 +1   95.1086312 +1  137.7791749 +1     5     1     2
  H     1.09538889 +1  120.8081172 +1    2.7292717 +1    14    13    10
  H     1.08964402 +1  119.8760194 +1 -179.5838396 +1    15    14    13
  H     1.09026637 +1  119.9209117 +1 -178.7275455 +1    17    16    15
  H     1.09694167 +1  120.9024550 +1   -2.7537376 +1    18    13    10
  H     1.10032583 +1  113.0704911 +1 -159.3884481 +1    19    16    15
  H     1.10509459 +1  110.8026000 +1   81.0506334 +1    19    16    15
  H     1.10053843 +1  112.6147644 +1  -38.2305632 +1    19    16    15
  H     1.09637213 +1  120.8399464 +1    2.3343444 +1    24    23    20
  H     1.09033589 +1  119.9091960 +1 -179.9958788 +1    25    24    23
  H     1.09055770 +1  119.9772354 +1 -178.9984580 +1    27    26    25
  H     1.09767076 +1  120.8456374 +1   -2.0764829 +1    28    23    20
  H     1.10339370 +1  111.8434569 +1   52.6311710 +1    29    26    25
  H     1.10296847 +1  111.4644090 +1  -66.5210659 +1    29    26    25
  H     1.10050780 +1  113.3659616 +1  173.1057209 +1    29    26    25