Accuracy

Lu_(XEWWAX) r   7157 Lutetium complex, CCDC: XEWWAX (Geo)

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    #  Species Formula
  7147 Lu(C8)CNO (DELSIW) (Geo)C21H28NOLu
  7148 Lu(C8)CNO (DELSIW)C21H28NOLu
  7149 Lutetium complex, CCDC: VEQGAZ (Geo)C27H27N4O3Lu
  7150 Lutetium complex, CCDC: DICCAT (Geo)C34H23N8O4Lu
  7151 Lutetium complex, CCDC: POGWEN (Geo)C44H67O5Lu
  7152 Lutetium complex, CCDC: XECQUR (Geo)C15H21N3O5Lu
  7153 Lutetium complex, CCDC: UFIROQ (Geo)C48H66N8O5Lu
  7154 Lu(III)O6 (LUTMHP) (Geo)C15H21O6Lu
  7155 Lu(III)O6 (LUTMHP)aC15H21O6Lu
  7156 Lu(III)O6 (LUTMHP)a (Geo)C33H57O6Lu
  7157 Lutetium complex, CCDC: XEWWAX (Geo) C10H20N2O6Lu
  7158 Lutetium complex, CCDC: XEWREW (Geo)C19H21N3O6Lu
  7159 Lutetium complex, CCDC: NIJHAP (Geo)C21H17N4O7Lu
  7160 Lutetium complex, CCDC: FOPPOP (Geo)H16O8Lu
  7161 Lutetium complex, CCDC: XAWVAS (Geo)C15H15N5O8Lu
  7162 LuN3O6 (BAGBUH) (Geo)C20H18N5O8Lu
  7163 LuN3O6 (BAGBUH)C20H18N5O8Lu
  7164 Lutetium complex, CCDC: BAGBUH (Geo)C20H18N5O8Lu
  7165 Lu(III)O8(3+) (QAKXAB) (Geo)C32H64N8O8Lu
  7166 Lu(III)(H2O)9(3+) (BUVVUJ) (Geo)H18O9Lu
  7167 Lu(III)(H2O)9(3+) (BUVVUJ)H18O9Lu


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=3.0
Lutetium complex, CCDC: XEWWAX
 <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     2.27030034 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27230022 +1  109.8887115 +1    0.0000000 +0     1     2     0
  O     2.28849949 +1   73.2585727 +1 -136.9515152 +1     1     2     3
  O     2.29489994 +1  136.5447309 +1  -81.0168785 +1     1     2     3
  O     2.33550000 +1   68.0073949 +1  148.4364006 +1     1     2     3
  O     2.35039983 +1   69.8826481 +1  -60.2576271 +1     1     2     3
  N     2.11112131 +1  141.1802111 +1  149.5910585 +1     1     2     3
  N     2.10732502 +1   85.3123311 +1   72.4039286 +1     1     2     3
  C     1.37770078 +1  104.0980320 +1  -77.9159575 +1     8     1     2
  C     1.39653065 +1  122.0078428 +1  156.4954472 +1    10     8     1
  C     1.39847707 +1  118.7115729 +1   -0.3495525 +1    11    10     8
  C     1.39221560 +1  119.2834469 +1   -0.9024437 +1    12    11    10
  C     1.35682073 +1  130.2962481 +1   72.1460340 +1     8     1     2
  C     1.38094519 +1   99.3870304 +1  167.3815335 +1     9     1     2
  C     1.39803465 +1  122.1077981 +1  135.7150582 +1    15     9     1
  C     1.39665031 +1  118.7307841 +1    0.1212269 +1    16    15     9
  C     1.39450516 +1  119.3803736 +1   -1.3841486 +1    17    16    15
  C     1.36322751 +1  121.2678927 +1  -60.8438791 +1     9     1     2
  H     1.10265548 +1  120.5111467 +1  179.4834472 +1    11    10     8
  H     1.11006062 +1  120.0731521 +1  178.6918568 +1    12    11    10
  H     1.10652140 +1  120.6173311 +1  179.1311889 +1    13    12    11
  H     1.10337324 +1  117.2505216 +1   34.2190093 +1    14     8     1
  H     1.10243929 +1  120.4040650 +1  178.7282656 +1    16    15     9
  H     1.11042150 +1  120.0766953 +1  177.3434391 +1    17    16    15
  H     1.10691671 +1  120.4521378 +1  177.5738214 +1    18    17    16
  H     1.10796458 +1  116.5185797 +1   59.7955276 +1    19     9     1
  H     0.99107132 +1  125.8203621 +1  -81.7244795 +1     6     1     2
  H     0.98666318 +1  132.7557753 +1   94.6791037 +1     6     1     2
  H     0.98835533 +1  128.4332245 +1  -71.4901932 +1     7     1     2
  H     0.98782853 +1  130.4418021 +1  103.0084929 +1     7     1     2
  H     0.99105041 +1  126.1251540 +1  -18.5710746 +1     4     1     2
  H     0.98970539 +1  132.7602462 +1  156.4383291 +1     4     1     2
  H     0.99210286 +1  130.2929902 +1 -129.8324910 +1     2     1     3
  H     0.99239407 +1  128.9654304 +1   47.1225559 +1     2     1     3
  H     0.99117550 +1  133.8780009 +1 -167.5687463 +1     5     1     2
  H     0.99317939 +1  125.2961995 +1   11.5336350 +1     5     1     2
  H     0.99677450 +1  120.5665664 +1 -141.6741084 +1     3     1     2
  H     0.99087495 +1  138.2782569 +1   28.3869164 +1     3     1     2