Accuracy

Er_(DIDCAU) r   7049 Erbium complex, CCDC: DIDCAU (Geo)

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    #  Species Formula
  7039 Erbium complex, CCDC: DIBTAJ (Geo)C36H30N3O12S3Er
  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


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: DIDCAU
 <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     2.24680003 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27620005 +1  104.2100219 +1    0.0000000 +0     1     2     0
  O     2.29459995 +1   65.9221964 +1   78.0275274 +1     1     2     3
  O     2.32460000 +1  106.3104841 +1  -68.8030954 +1     1     2     3
  O     2.34480000 +1  120.8071331 +1  119.9125930 +1     1     2     3
  O     2.37549997 +1   98.1301086 +1 -154.8602916 +1     1     2     3
  O     4.03762407 +1  179.9971486 +1   34.4126783 +1     1     2     3
  O     2.22615777 +1   98.9403018 +1  170.4462288 +1     8     1     2
  O     3.53057283 +1  113.2604814 +1 -120.5215313 +1     5     1     2
  O     2.50789040 +1  130.9060412 +1  109.2520001 +1     6     1     2
  O     2.18564578 +1  170.1186308 +1  125.1138139 +1     7     1     2
  O     3.94624748 +1  142.9744798 +1   -1.3830800 +1    10     5     1
  O     2.71209612 +1  101.7743520 +1  -67.7388173 +1    13    10     5
  O     4.22037042 +1   90.6130570 +1  -11.8303308 +1    13    10     5
 Er     2.58433291 +1   63.2830224 +1   42.3576350 +1    14    13    10
  C     1.26040831 +1  144.5990923 +1   -7.9327969 +1     4     1     2
  C     1.26994776 +1  146.9388866 +1  -69.7593825 +1     2     1     3
  C     1.39751410 +1  120.6842518 +1   -6.7804684 +1    18     2     1
  C     1.49237423 +1  116.7713241 +1  173.3164300 +1    18     2     1
  C     1.49473088 +1  116.4814816 +1 -173.4789943 +1    17     4     1
  C     1.26774279 +1  143.7448984 +1   91.5350062 +1     5     1     2
  C     1.26335277 +1  146.4961682 +1 -100.1453242 +1     3     1     2
  C     1.39860234 +1  121.7162818 +1    7.9240802 +1    22     5     1
  C     1.49265252 +1  116.1985435 +1 -179.4158813 +1    23     3     1
  C     1.49553353 +1  115.7353253 +1 -173.0204135 +1    22     5     1
  C     1.19091512 +1  131.0139914 +1  176.4561904 +1     8     1     2
  C     1.48651471 +1  128.9509584 +1  169.5500163 +1    27     8     1
  C     1.22739596 +1   30.1544121 +1 -124.5189942 +1    12     7     1
  C     1.50030809 +1  121.8282707 +1 -179.9859000 +1    29    12     7
  C     1.24399489 +1  146.6536361 +1 -164.2649991 +1    13    10     5
  C     1.25198419 +1   84.6869888 +1 -140.8307934 +1    14    13    10
  C     1.24547109 +1  124.4009184 +1 -149.5981402 +1    11     6     1
  C     1.25734112 +1  153.1457466 +1 -163.2849695 +1    15    13    10
  C     1.39315585 +1  123.3917887 +1   -4.7721183 +1    32    14    13
  C     1.50723259 +1  116.6090608 +1  -83.5214319 +1    31    13    10
  C     1.50495729 +1  115.5903174 +1  175.7500860 +1    32    14    13
  C     1.40471950 +1  122.7905050 +1  168.7880300 +1    33    11     6
  C     1.50622483 +1  117.1714087 +1  -11.0791625 +1    33    11     6
  C     1.50376482 +1  114.7934076 +1  -22.0700185 +1    34    15    13
  H     0.96859574 +1    6.1408637 +1   -1.5894314 +1    10     5     1
  H     0.95311578 +1  122.4382642 +1  -56.8114161 +1     6     1     2
  H     1.10366838 +1  132.0324248 +1  110.5566287 +1     6     1     2
  H     1.07720836 +1  120.3503730 +1  179.1535133 +1    19    18     2
  H     1.09893360 +1  111.2821496 +1 -120.1013426 +1    20    18     2
  H     1.09899744 +1  111.2372714 +1  120.1169463 +1    20    18     2
  H     1.10172376 +1  111.4058254 +1   -0.0071395 +1    20    18     2
  H     1.10245653 +1  110.0957545 +1   58.5558789 +1    21    17     4
  H     1.10078559 +1  110.4830124 +1  -58.5974008 +1    21    17     4
  H     1.09460277 +1  113.3634161 +1  179.8087004 +1    21    17     4
  H     1.07843965 +1  119.7967023 +1  178.2820448 +1    24    22     5
  H     1.10357871 +1  109.8521032 +1   58.7737664 +1    25    23     3
  H     1.10175534 +1  110.3471717 +1  -57.7804600 +1    25    23     3
  H     1.09418292 +1  113.5636803 +1 -179.8103312 +1    25    23     3
  H     1.10069505 +1  110.6153769 +1   52.8611644 +1    26    22     5
  H     1.10363096 +1  110.0876607 +1  -64.9875073 +1    26    22     5
  H     1.09540606 +1  113.2694178 +1  174.5696021 +1    26    22     5
  H     1.10252638 +1  110.8850872 +1 -117.4773824 +1    28    27     8
  H     1.10177175 +1  111.4889162 +1  123.9003168 +1    28    27     8
  H     1.09889932 +1  111.1350914 +1    2.9938519 +1    28    27     8
  H     0.95783805 +1  102.5468292 +1  110.2816855 +1    10     5     1
  H     1.09638262 +1  111.4554616 +1 -124.9676343 +1    30    29    12
  H     1.09858056 +1  110.4949643 +1  115.4267832 +1    30    29    12
  H     1.09819768 +1  111.1831196 +1   -4.1536138 +1    30    29    12
  H     1.07931269 +1  118.7948403 +1 -175.5856612 +1    35    32    14
  H     1.09615724 +1  110.9411103 +1 -116.6321022 +1    36    31    13
  H     1.09598783 +1  111.0984753 +1  123.2659781 +1    36    31    13
  H     1.09984038 +1  110.8517616 +1    3.2294449 +1    36    31    13
  H     1.09853908 +1  110.2534787 +1   59.0049435 +1    37    32    14
  H     1.09924147 +1  109.8412456 +1  -58.3270157 +1    37    32    14
  H     1.09359415 +1  113.0443315 +1 -179.4591522 +1    37    32    14
  H     1.08251845 +1  117.7297173 +1  174.4100416 +1    38    33    11
  H     1.09885595 +1  110.3670218 +1   60.5101138 +1    39    33    11
  H     1.09902002 +1  110.3848105 +1  -58.3011914 +1    39    33    11
  H     1.09605866 +1  112.7527048 +1 -178.9855386 +1    39    33    11
  H     1.10004239 +1  110.4462169 +1   57.6797852 +1    40    34    15
  H     1.10113805 +1  109.8151205 +1  -59.4968843 +1    40    34    15
  H     1.09300688 +1  113.3886523 +1  179.3484609 +1    40    34    15