Accuracy

Er_(TACERB01) r   7050 Erbium complex, CCDC: TACERB01 (Geo)

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    #  Species Formula
  7040 Erbium complex, CCDC: BOBWAQ (Geo)C17H29O3Cl2Er
  7041 Erbium complex, CCDC: LOKDAQ (Geo)C18H31O3Cl2Er
  7042 Erbium complex, CCDC: POHDEV (Geo)C24H35O3Cl2Er
  7043 Erbium complex, CCDC: ZUFSAU (Geo)C24H22N4O6Cl4Er
  7044 Erbium complex, CCDC: MALZOO01 (Geo)C34H30NP2Se2Er
  7045 Erbium complex, CCDC: NUFGIE (Geo)C30H39O3Se3Er
  7046 Erbium complex, CCDC: PESQUZ (Geo)C26H50OSi4IEr
  7047 Erbium complex, CCDC: GERQID (Geo)C44H54Er2
  7048 Erbium complex, CCDC: FEVGUI (Geo)C30H40N2Er2
  7049 Erbium complex, CCDC: DIDCAU (Geo)C24H38O14Er2
  7050 Erbium complex, CCDC: TACERB01 (Geo) C12H26O16Er2
  7051 Erbium complex, CCDC: HAGSAJ (Geo)C48H50O16Er2
  7052 Erbium complex, CCDC: VUSHEW (Geo)C12H44N4O16Er2
  7053 Erbium complex, CCDC: DAFKOK (Geo)C24H36N4O22Er2
  7054 Erbium complex, CCDC: FOSXUG (Geo)C20H20Cl2Er2
  7055 Erbium complex, CCDC: TOKTOC (Geo)C36H52Cl2Er2
  7056 Erbium complex, CCDC: PIDCAG (Geo)C40H52Cl2Er2
  7057 Erbium complex, CCDC: YADWUV (Geo)C28H36O2Cl2Er2
  7058 Erbium complex, CCDC: DUFCUC10 (Geo)C20H20Br2Er2
  7059 Erbium complex, CCDC: JAQFEM (Geo)C44H84Si8Br2Er2
  7060 Thulium complex, CCDC: TUTXOV (Geo)C18H31N9Tm


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
Erbium complex, CCDC: TACERB01
 <Er-O2> <Er-O3> <> <Er-O4> <> <> <Er-O5> <> <> <Er-O6> <> <> <Er-O7> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.32520000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.33139996 +1   97.3054114 +1    0.0000000 +0     1     2     0
  O     2.33949998 +1   89.8948015 +1   85.3351443 +1     1     2     3
  O     2.36399998 +1   68.0106157 +1  162.3414185 +1     1     2     3
  O     2.40055131 +1  100.0405521 +1  -95.8934070 +1     1     2     3
  O     2.40570001 +1  179.9943091 +1  129.1074456 +1     1     2     3
  O     2.19667332 +1  115.3004623 +1  -11.5016336 +1     6     1     2
  O     2.15931820 +1  115.9361607 +1  -19.3533599 +1     5     1     2
  O     2.19278868 +1  128.6611657 +1 -111.3917429 +1     7     1     2
  O     2.48675046 +1  124.5942122 +1 -139.6517498 +1     4     1     2
  O     2.69131867 +1  107.1852402 +1  147.8007607 +1     6     1     2
  O     2.17196854 +1  161.6519371 +1  157.9589879 +1     3     1     2
  O     2.15343061 +1  142.0005166 +1  -82.5830400 +1    11     4     1
  O     3.42383611 +1  129.8139212 +1   83.0563087 +1    14    11     4
  O     3.55301165 +1   94.8693618 +1  159.6211222 +1    14    11     4
  O     2.24406270 +1   71.5450945 +1  -77.4400240 +1    16    14    11
 Er     3.39497979 +1   56.8267682 +1   18.3711000 +1    15    14    11
  C     1.21530177 +1   30.5088936 +1 -169.9703184 +1     8     6     1
  C     1.50332876 +1  122.8399680 +1  179.4888271 +1    19     8     6
  C     1.27479160 +1  145.6216376 +1  -31.3198618 +1     5     1     2
  C     1.48571900 +1  119.5394736 +1 -156.7992873 +1    21     5     1
  C     1.30569983 +1   29.7330241 +1 -156.4317232 +1    10     7     1
  C     1.47680309 +1  117.6206734 +1 -179.5893811 +1    23    10     7
  C     1.27664355 +1  168.3895181 +1  -30.0119753 +1     3     1     2
  C     1.49122172 +1  118.3484145 +1    4.3259915 +1    25     3     1
  C     1.23165246 +1   32.1395502 +1  -71.9137009 +1    14    11     4
  C     1.18318300 +1  102.9855172 +1  -93.7660206 +1    16    14    11
  C     1.49401463 +1  124.0325921 +1 -179.2445460 +1    27    14    11
  C     1.47397942 +1  133.4572803 +1 -154.5993571 +1    28    16    14
  H     1.11723474 +1  110.4132748 +1 -139.8997022 +1     2     1     3
  H     0.94812810 +1  126.3430571 +1   40.2768567 +1     4     1     2
  H     0.98078066 +1    7.0166141 +1   55.1155763 +1    12     6     1
  H     0.95808162 +1   92.7316887 +1 -126.0141392 +1    15    14    11
  H     0.96775314 +1  124.0682227 +1  104.6980372 +1     2     1     3
  H     1.15700540 +1  129.2887238 +1 -138.4115576 +1     4     1     2
  H     1.09687279 +1  110.4511167 +1   57.9854764 +1    20    19     8
  H     1.09863117 +1  110.1315535 +1  -60.0929413 +1    20    19     8
  H     1.09708745 +1  112.5054063 +1 -179.9690062 +1    20    19     8
  H     1.09942433 +1  111.1610328 +1   59.2514104 +1    22    21     5
  H     1.10242823 +1  110.6826320 +1  -59.0025921 +1    22    21     5
  H     1.09965336 +1  111.7795872 +1 -179.5020879 +1    22    21     5
  H     1.11481093 +1  109.4143021 +1 -117.5868464 +1    24    23    10
  H     1.10060769 +1  111.6920319 +1  124.3285010 +1    24    23    10
  H     1.09867415 +1  112.8240875 +1    1.4363251 +1    24    23    10
  H     0.95939696 +1   83.9146780 +1  128.8428130 +1    15    14    11
  H     0.94992414 +1   96.7722858 +1 -130.9072183 +1    12     6     1
  H     1.10153197 +1  110.9251979 +1   60.7324618 +1    26    25     3
  H     1.10078526 +1  111.0537088 +1  -58.3721026 +1    26    25     3
  H     1.09879524 +1  111.5926388 +1 -178.8819712 +1    26    25     3
  H     1.10124934 +1  110.2688251 +1   59.1174976 +1    29    27    14
  H     1.09850673 +1  110.8751195 +1  -59.1050826 +1    29    27    14
  H     1.09657676 +1  112.2449420 +1  179.4732568 +1    29    27    14
  H     1.10206612 +1  111.4679412 +1   58.6769817 +1    30    28    16
  H     1.10546887 +1  110.3934141 +1  -60.2642607 +1    30    28    16
  H     1.10230585 +1  112.9981392 +1  179.9047908 +1    30    28    16