Accuracy

Ce_(APSBCE) r   6519 Cerium complex, CCDC: APSBCE (Geo)

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    #  Species Formula
  6509 Lanthanum complex, CCDC: SUZXIU (Geo)C74H70N4O24La2
  6510 bis((mu-2-Fluorido)-(h5-1,3-bis(trimethylsilyl)-cyclopentadienyl)-lanthanum(iii) (Geo)C44H84F2Si8La2
  6511 Dilanthanum heptachloride, anionCl7La2
  6512 Dilanthanum heptachloride (Geo)Cl7La2
  6513 Lanthanum complex, CCDC: ZEWYOP (Geo)C32H20N4O14Cl18La2
  6514 Cerium complex, CCDC: XONYAA (Geo)C45H33N9Ce
  6515 Cerium complex, CCDC: GIFCUT (Geo)C23H27B2N12O2Ce
  6516 Cerium complex, CCDC: GIFCUT10 (Geo)C23H27B2N12O2Ce
  6517 Cerium complex, CCDC: MIPTAG (Geo)C27H27N4O3Ce
  6518 Cerium complex, CCDC: GACJIE (Geo)C39H51N4O3Ce
  6519 Cerium complex, CCDC: APSBCE (Geo) C22H30N14O4Ce
  6520 Cerium complex, CCDC: PEKWEH (Geo)C27H11N2O6Ce
  6521 Cerium complex, CCDC: LIFHUD (Geo)C38H26N12O6Ce
  6522 Cerium complex, CCDC: FILKEQ (Geo)C22H28N8O7Ce
  6523 Cerium complex, CCDC: GINNUM (Geo)C8H26O9Ce
  6524 Cerium complex, CCDC: VAPCAQ (Geo)C24H21N10O9Ce
  6525 Cerium complex, CCDC: ZUNMAW (Geo)C16H24N11O9Ce
  6526 Cerium complex, CCDC: TIJCIY (Geo)C17H19N6O11Ce
  6527 Cerium complex, CCDC: HIXWEQ (Geo)C26H22N9O11Ce
  6528 Cerium complex, CCDC: HUMDOI (Geo)C10H10N10O12Ce
  6529 Cerium complex, CCDC: JAPPUL (Geo)C8H20N3O13Ce


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
Cerium complex, CCDC: APSBCE
 <Ce-O2> <Ce-O3> <> <Ce-O4> <> <> <Ce-O5> GR=CCDC
 Ce     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.48270001 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.48300000 +1   80.8221709 +1    0.0000000 +0     1     2     0
  O     2.52520028 +1   93.8670171 +1 -156.6218869 +1     1     2     3
  O     2.59730002 +1  156.9400253 +1  122.0289854 +1     1     2     3
  N     2.69958989 +1   74.1713345 +1 -166.8639256 +1     5     1     2
  N     2.70164012 +1   75.8706638 +1   92.9520511 +1     3     1     2
  N     2.72832060 +1   74.8742007 +1   79.0141343 +1     2     1     3
  N     2.69294294 +1   76.0053124 +1  -59.5326059 +1     4     1     2
  N     2.74294085 +1  116.7913936 +1  -28.6719061 +1     6     5     1
  N     2.75044700 +1  114.1716546 +1  -30.1443977 +1     7     3     1
  N     1.37523035 +1   59.6299005 +1  152.0999692 +1     9     4     1
  N     1.38941104 +1   61.2747417 +1  146.7364299 +1     7     3     1
  N     1.37307804 +1   59.4930407 +1  147.0953768 +1     6     5     1
  N     1.38140839 +1   59.3397432 +1  157.1451299 +1     8     2     1
  N     2.27274900 +1  151.2966807 +1    8.3163092 +1     4     1     2
  N     2.26646948 +1  158.8791599 +1  145.7090300 +1     3     1     2
  N     2.26042470 +1  163.0155186 +1  114.1527210 +1     2     1     3
  N     2.28535146 +1  153.0147416 +1 -107.4722414 +1     5     1     2
  C     1.35027321 +1   60.9423426 +1 -168.4220170 +1    11     7     3
  C     1.40363056 +1  121.6408734 +1  174.1900884 +1    20    11     7
  C     1.39555698 +1  118.2254408 +1   -3.7287010 +1    21    20    11
  C     1.38974204 +1  120.2452672 +1    4.0304447 +1    22    21    20
  C     1.35249409 +1  172.8996781 +1  -68.7611637 +1    11     7     3
  C     1.30467586 +1  172.7365302 +1  -95.0213233 +1     7     3     1
  C     1.48537932 +1  126.7348872 +1 -115.2137653 +1    25     7     3
  C     1.25474567 +1  132.0481938 +1  116.2628015 +1     3     1     2
  C     1.30353397 +1  179.9975100 +1 -139.4972417 +1     9     4     1
  C     1.48897748 +1  125.6264690 +1  -68.9721494 +1    28     9     4
  C     1.25720975 +1  130.6424375 +1  -29.5456039 +1     4     1     2
  C     1.35549467 +1  176.8476476 +1  -64.9341172 +1    10     6     5
  C     1.40539985 +1  121.1298684 +1  -89.5102938 +1    31    10     6
  C     1.39171963 +1  119.4626903 +1   -3.8416466 +1    32    31    10
  C     1.39195380 +1  118.9844335 +1    0.9357132 +1    33    32    31
  C     1.35327545 +1   60.6772749 +1 -160.1521695 +1    10     6     5
  C     1.30459810 +1  177.5419304 +1 -106.2344706 +1     8     2     1
  C     1.48991367 +1  124.9117216 +1  -93.5998473 +1    36     8     2
  C     1.25572197 +1  133.4097679 +1   92.7569453 +1     2     1     3
  C     1.30609874 +1  166.9241487 +1 -114.9009575 +1     6     5     1
  C     1.48946889 +1  124.0576106 +1  -92.3846358 +1    39     6     5
  C     1.25199921 +1  129.2737255 +1 -138.5403549 +1     5     1     2
  H     1.01683502 +1   90.5294442 +1  150.6384346 +1    18     2     1
  H     1.00982485 +1  152.6972587 +1  -17.9306024 +1    18     2     1
  H     1.03057653 +1  118.0800622 +1  158.6573241 +1    15     8     2
  H     1.10165863 +1  114.9609247 +1  -29.6326175 +1    37    36     8
  H     1.11666482 +1  109.4199893 +1   90.7674049 +1    37    36     8
  H     1.10571167 +1  114.1443714 +1 -150.5474005 +1    37    36     8
  H     1.09839976 +1  121.5872674 +1  172.2621601 +1    32    31    10
  H     1.10306413 +1  120.9061775 +1 -179.6860365 +1    33    32    31
  H     1.09806520 +1  119.1559918 +1 -178.6903196 +1    34    33    32
  H     1.10639910 +1  115.1895444 +1  171.6129687 +1    40    39     6
  H     1.11938214 +1  108.4061302 +1   58.2508194 +1    40    39     6
  H     1.09911125 +1  114.8979618 +1  -63.0690890 +1    40    39     6
  H     1.02124200 +1  120.0753530 +1 -179.2057426 +1    14     6     5
  H     1.01145685 +1  149.7686206 +1  -53.6894098 +1    19     5     1
  H     1.01916261 +1   93.1326500 +1  144.7771936 +1    19     5     1
  H     1.01623774 +1   91.4395784 +1  120.5183032 +1    16     4     1
  H     1.00834547 +1  151.1209913 +1  -43.4141045 +1    16     4     1
  H     1.02300508 +1  120.2820541 +1  172.6065300 +1    12     9     4
  H     1.10178760 +1  116.3747742 +1   69.2058284 +1    29    28     9
  H     1.11632437 +1  108.4889880 +1  -52.2440481 +1    29    28     9
  H     1.10555201 +1  113.5465337 +1 -164.2866265 +1    29    28     9
  H     1.09787090 +1  120.3559185 +1  177.0672245 +1    23    22    21
  H     1.10384642 +1  118.7978534 +1 -172.0821803 +1    22    21    20
  H     1.09444247 +1  122.1799656 +1  177.2627242 +1    21    20    11
  H     1.10372689 +1  116.2638947 +1 -108.4713950 +1    26    25     7
  H     1.11459172 +1  111.1996428 +1    7.4733037 +1    26    25     7
  H     1.10926141 +1  113.0906268 +1  123.6711297 +1    26    25     7
  H     1.03691313 +1  114.6062109 +1  141.0745932 +1    13     7     3
  H     1.01254711 +1  151.2454341 +1  -54.1369417 +1    17     3     1
  H     1.01755422 +1   91.7350140 +1  144.6421920 +1    17     3     1