Accuracy

Dy_(BACDAK) r   6972 Dysprosium complex, CCDC: BACDAK (Geo)

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    #  Species Formula
  6962 Dysprosium complex, CCDC: PALBIN (Geo)C4H14N8O12Dy
  6963 Dysprosium complex, CCDC: FOPNAZ (Geo)C12H40O14Dy
  6964 Dysprosium complex, CCDC: LEYHUS (Geo)C12H30N3O18Dy
  6965 Dysprosium complex, CCDC: XIVFUD (Geo)C27H19N3O7F18Dy
  6966 Dysprosium complex, CCDC: ZAXSAS (Geo)C72H60N3O6P6Dy
  6967 Dysprosium complex, CCDC: GAKYEW (Geo)C14H26O12S2Dy
  6968 Dysprosium complex, CCDC: DIDBOH (Geo)C24H38O14Dy2
  6969 Dysprosium complex, CCDC: QQQEMM01 (Geo)C12H26O16Dy2
  6970 Dysprosium complex, CCDC: AMAQDY (Geo)C42H44N6O16Dy2
  6971 Dysprosium complex, CCDC: DASFOS (Geo)C12H12O18F18Dy2
  6972 Dysprosium complex, CCDC: BACDAK (Geo) C42H34O20Cl12Dy2
  6973 Holmium complex, CCDC: XEQMEL (Geo)C27H27N4O3Ho
  6974 Holmium complex, CCDC: XEWVIE (Geo)C10H20N2O6Ho
  6975 Holmium complex, CCDC: ECOJEL (Geo)C41H56N7O6Ho
  6976 Holmium complex, CCDC: PHPRHO10 (Geo)C45H35O7Ho
  6977 Holmium complex, CCDC: XAWVOG (Geo)C15H15N5O8Ho
  6978 Holmium complex, CCDC: BAGBAN (Geo)C20H18N5O8Ho
  6979 Holmium complex, CCDC: BUVXOF01 (Geo)H18O9Ho
  6980 Holmium complex, CCDC: HOESUL02 (Geo)H18O9Ho
  6981 Holmium complex, CCDC: GINREA (Geo)C8H26O9Ho
  6982 Holmium complex, CCDC: KITGOJ (Geo)C8H26O9Ho


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
Dysprosium complex, CCDC: BACDAK
 <Dy-O2> <Dy-O3> <> <Dy-O4> <> <> <Dy-O5> <> <> <Dy-O6> <> <> <Dy-O7> GR=CCDC
 Dy     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.32719997 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.35350005 +1   73.6085641 +1    0.0000000 +0     1     2     0
  O     2.37259997 +1  149.7245889 +1 -125.1397002 +1     1     2     3
  O     2.37889998 +1  100.7516794 +1  107.0310038 +1     1     2     3
  O     2.38289999 +1   81.3743334 +1  173.9268280 +1     1     2     3
  O     2.39379999 +1  137.0390142 +1   24.7821518 +1     1     2     3
  O     3.65207440 +1   94.8979388 +1  -68.5279604 +1     1     2     3
 Dy     3.63673265 +1  110.4374734 +1  141.0375989 +1     5     1     2
  O     3.32430217 +1   62.3066613 +1 -116.3297793 +1     1     2     3
  O     2.18758839 +1  118.2185841 +1 -107.6557459 +1     4     1     2
  O     2.19985657 +1  118.6366981 +1  -29.7187918 +1     7     1     2
  O     2.22229269 +1   95.8148475 +1    6.2670693 +1    10     1     2
  O     3.17048664 +1   53.1820827 +1   86.1680182 +1     9     5     1
  O     2.51833500 +1   64.8671758 +1  -83.1897765 +1     9     5     1
  O     2.20890071 +1  173.2226327 +1  152.0761248 +1     5     1     2
  O     3.37410179 +1  122.2697580 +1  -57.5726879 +1     9     5     1
  O     3.42254539 +1  146.6607824 +1   61.2984779 +1     9     5     1
  O     2.21267775 +1  121.1515794 +1 -173.8892015 +1    15     9     5
  O     1.83130645 +1  115.4664134 +1  128.2688029 +1     9     5     1
  O     3.41934755 +1  112.0888505 +1 -143.3045077 +1     9     5     1
  O     2.21543527 +1  154.1925657 +1 -148.9883422 +1    20     9     5
 Cl     3.17698023 +1   86.9149776 +1 -127.2405582 +1    11     4     1
 Cl     3.31829168 +1  127.1274239 +1   -5.5775929 +1     4     1     2
 Cl     3.31792627 +1   85.2608112 +1  148.5810578 +1    12     7     1
 Cl     3.08889388 +1  106.8216844 +1 -125.2352156 +1     7     1     2
 Cl     3.35253851 +1  133.3848385 +1   87.1552198 +1    10     1     2
 Cl     3.26316793 +1   79.9337906 +1 -120.0813330 +1    13    10     1
  C     2.37661361 +1  179.9973567 +1 -100.5744159 +1     4     1     2
  C     1.39216107 +1  124.3683481 +1  -96.8847671 +1    29     4     1
  C     1.38868619 +1  121.8383217 +1 -145.4492098 +1    30    29     4
  C     1.39600297 +1  118.7933105 +1   -1.5987626 +1    31    30    29
  C     1.39359130 +1  120.6367204 +1   -1.2610431 +1    32    31    30
  C     1.38938952 +1  111.2364664 +1  112.0146043 +1    29     4     1
  C     1.24646842 +1  147.4797203 +1 -106.6629503 +1     4     1     2
  C     2.38421686 +1   61.4458852 +1 -161.6129806 +1    12     7     1
  C     1.38776899 +1  112.3610403 +1 -122.2310763 +1    36    12     7
  C     1.38954409 +1  122.2974122 +1 -152.6081014 +1    37    36    12
  C     1.39544886 +1  118.7036311 +1    0.7852258 +1    38    37    36
  C     1.39415775 +1  120.6079261 +1    0.4247715 +1    39    38    37
  C     1.39073071 +1  118.6980708 +1   -1.8849057 +1    40    39    38
  C     1.23613739 +1   29.4254997 +1 -163.4414891 +1    12     7     1
  C     2.34315648 +1   62.5033868 +1 -174.3232651 +1    13    10     1
  C     1.38830818 +1  123.0681445 +1  -97.7117599 +1    43    13    10
  C     1.39001445 +1  122.1041671 +1 -146.1557233 +1    44    43    13
  C     1.39569703 +1  118.6591796 +1   -0.1245337 +1    45    44    43
  C     1.39489239 +1  120.7031658 +1    0.0205117 +1    46    45    44
  C     1.38932880 +1  111.1525623 +1  114.2382723 +1    43    13    10
  C     1.29616231 +1   27.1160574 +1 -174.7950151 +1    13    10     1
  C     1.21933126 +1   28.3840004 +1  161.7486413 +1    16     5     1
  C     1.49989457 +1  120.5842563 +1  179.0103931 +1    50    16     5
  C     1.38645215 +1  121.8208159 +1 -101.7933244 +1    51    50    16
 Cl     1.70686807 +1  118.5397902 +1   -3.1043398 +1    52    51    50
  C     1.39068204 +1  121.9777115 +1  178.7827422 +1    52    51    50
  C     1.39471990 +1  118.6441276 +1    0.5778503 +1    54    52    51
  C     1.39632597 +1  120.8169945 +1   -0.1640748 +1    55    54    52
  C     1.38810003 +1  120.2355674 +1   77.0907084 +1    51    50    16
 Cl     1.70805972 +1  118.3862458 +1   -0.7553615 +1    57    51    50
  C     1.22000977 +1   28.9750064 +1  161.8894210 +1    19    15     9
  C     1.49337564 +1  122.2593096 +1 -177.4534013 +1    59    19    15
  C     1.38517928 +1  123.0231288 +1  -73.0928429 +1    60    59    19
 Cl     1.70287384 +1  118.5731273 +1   -0.1844052 +1    61    60    59
  C     1.39143652 +1  121.5198750 +1  179.7809773 +1    61    60    59
  C     1.39410774 +1  119.1178653 +1   -0.5553693 +1    63    61    60
  C     1.39728688 +1  120.8283350 +1    0.8759400 +1    64    63    61
  C     1.38738748 +1  118.2211005 +1    0.6963307 +1    65    64    63
 Cl     1.70403000 +1  119.8260021 +1 -179.2306287 +1    66    65    64
  C     1.19736165 +1   31.9834302 +1  150.6420360 +1    22    20     9
  C     1.48187348 +1  128.6327573 +1  179.2805902 +1    68    22    20
  C     1.39136465 +1  122.0429928 +1 -110.2816130 +1    69    68    22
 Cl     1.70310295 +1  119.3808655 +1    2.9618057 +1    70    69    68
  C     1.39149077 +1  122.0861559 +1 -176.5835819 +1    70    69    68
  C     1.39353742 +1  118.9723145 +1   -1.4590556 +1    72    70    69
  C     1.39667760 +1  120.3666620 +1   -0.1961204 +1    73    72    70
  C     1.39420418 +1  120.4476925 +1   72.8245968 +1    69    68    22
 Cl     1.70387632 +1  119.1590096 +1    0.8763695 +1    75    69    68
  H     0.95250948 +1  126.5273274 +1 -176.1598939 +1     8     1     2
  H     1.01213497 +1  125.4064259 +1 -139.5341882 +1     6     1     2
  H     0.97321035 +1  115.3518811 +1  -43.5146534 +1    14     9     5
  H     0.93006229 +1  135.0461464 +1  -91.5395557 +1     2     1     3
  H     0.95658486 +1  142.2775844 +1   95.8476942 +1    21     9     5
  H     0.94818201 +1  142.1329329 +1   68.3593415 +1    17     9     5
  H     0.94724097 +1  140.8633334 +1  -27.2160528 +1    18     9     5
  H     1.06363364 +1  118.3379081 +1  159.6340977 +1     3     1     2
  H     0.95454657 +1  123.9434869 +1  -18.0667283 +1     8     1     2
  H     0.96260163 +1  127.5066334 +1   26.8767566 +1     6     1     2
  H     1.32389650 +1  123.6142475 +1  106.7065615 +1     2     1     3
  H     0.95673572 +1  135.8889838 +1  -38.0308978 +1     3     1     2
  H     1.09001790 +1  120.9592947 +1  178.9853978 +1    31    30    29
  H     1.09105584 +1  119.5959996 +1  179.4421699 +1    32    31    30
  H     1.09114803 +1  120.3923869 +1 -178.1660074 +1    33    32    31
  H     1.08960427 +1  121.2139041 +1 -179.1845271 +1    38    37    36
  H     1.09065779 +1  119.6181246 +1 -179.8225953 +1    39    38    37
  H     1.09019900 +1  120.4119421 +1  178.9581543 +1    40    39    38
  H     1.08998413 +1  120.9896683 +1  179.7886747 +1    45    44    43
  H     1.09066246 +1  119.6406704 +1 -179.8561849 +1    46    45    44
  H     1.09018606 +1  120.3734605 +1 -179.5553276 +1    47    46    45
  H     1.09000701 +1  120.8688400 +1 -179.3764338 +1    54    52    51
  H     1.09104860 +1  119.6319817 +1  179.8251482 +1    55    54    52
  H     1.09008879 +1  120.5126106 +1  178.6910662 +1    56    55    54
  H     1.09105815 +1  120.8971021 +1 -179.3196574 +1    63    61    60
  H     1.09155195 +1  119.7654249 +1 -179.1969553 +1    64    63    61
  H     1.09153734 +1  120.5619570 +1 -179.6219571 +1    65    64    63
  H     1.09238729 +1  120.6897606 +1  177.9180452 +1    72    70    69
  H     1.09327119 +1  120.0317436 +1  179.5987525 +1    73    72    70
  H     1.09122498 +1  119.8416052 +1 -176.8183051 +1    74    73    72
  H     0.95634787 +1  110.7203000 +1  -93.1308550 +1    21     9     5
  H     0.94718726 +1  131.1784723 +1  103.0982729 +1    14     9     5
  H     0.96100257 +1   94.0835218 +1   97.6423721 +1    18     9     5
  H     0.98154121 +1   92.7597983 +1  -52.6081212 +1    17     9     5