Accuracy

Nd_(TAZJEJ) r   6677 Neodymium complex, CCDC: TAZJEJ (Geo)

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    #  Species Formula
  6667 Neodymium complex, CCDC: QOZWAD (Geo)C14H26O13F6S2Nd
  6668 Neodymium complex, CCDC: MINLIE (Geo)C74H60O10F6P4S2Nd
  6669 Neodymium complex, CCDC: FAHFID (Geo)C48H40N3O13S4Nd
  6670 Neodymium complex, CCDC: ELENOY (Geo)C34H58ClNd
  6671 Neodymium complex, CCDC: WAGWIK (Geo)C18H28N2ClNd
  6672 Neodymium complex, CCDC: NUFPUZ (Geo)C26H28O2ClNd
  6673 Neodymium complex, CCDC: AGUVIH (Geo)C28H30O2ClNd
  6674 Neodymium complex, CCDC: BOKPEW (Geo)C22H42Si4Cl2Nd
  6675 Neodymium complex, CCDC: YODYEV (Geo)C30H16N4O6Cl9Nd
  6676 Neodymium complex, CCDC: WIPLUC (Geo)C23H33NSiINd
  6677 Neodymium complex, CCDC: TAZJEJ (Geo) C52H62Nd2
  6678 Neodymium complex, CCDC: PAPMIC (Geo)C36H54O2Nd2
  6679 Neodymium complex, CCDC: JIRHAT (Geo)C38H58N12O2Nd2
  6680 Neodymium complex, CCDC: GUQFIH (Geo)C28H42O4Nd2
  6681 Neodymium complex, CCDC: NIKLEY (Geo)C46H46O4Nd2
  6682 Neodymium complex, CCDC: XIFMAA (Geo)C48H36N6O14Nd2
  6683 Neodymium complex, CCDC: QQQCGM01 (Geo)C36H32N6O16Nd2
  6684 Neodymium complex, CCDC: MOCDOX (Geo)C44H54O2S2Nd2
  6685 Neodymium complex, CCDC: SUQSEC (Geo)C28H52O4Cl2Nd2
  6686 Samarium complex, CCDC: NUQYUT (Geo)C30H48N6Sm
  6687 Samarium complex, CCDC: XEPLAF (Geo)C40H32N8Sm


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
Neodymium complex, CCDC: TAZJEJ
 <Nd-C> <Nd-C> <> <Nd-Nd> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.63804400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.44932500 +1  177.4109065 +1    0.0000000 +0     1     2     0
 Nd     2.43145400 +1  104.0918983 +1  -96.2179193 +1     3     1     2
  C     2.33229201 +1  109.1156408 +1  -42.8156415 +1     2     1     3
  C     1.47914562 +1  104.1772586 +1   34.4860718 +1     2     1     5
  C     3.86749578 +1  102.1019984 +1  172.1113776 +1     1     2     3
  C     1.41009542 +1   68.7818327 +1 -151.0522295 +1     7     1     2
  C     1.41825728 +1  108.0110308 +1   69.5984041 +1     8     7     1
  C     1.41208740 +1  107.7915217 +1    0.3134202 +1     9     8     7
  C     1.40679360 +1  108.1268598 +1   -1.0484156 +1    10     9     8
  C     3.53692944 +1  114.3618706 +1   82.1999283 +1     1     2     7
  C     4.02719431 +1   63.0447863 +1   75.3262874 +1     4     3     1
  C     1.40472553 +1   58.2572100 +1  176.1950032 +1    13     4     3
  C     1.42945624 +1  107.5083508 +1   91.1355923 +1    14    13     4
  C     1.38783228 +1  108.3218468 +1   -2.2878818 +1    15    14    13
  C     1.41712208 +1   96.8765111 +1  107.6252387 +1    13     4    14
  C     3.60035825 +1   99.4099047 +1  109.9907451 +1     4     3    13
  C     1.41429315 +1   78.4736157 +1  133.5170365 +1    18     4     3
  C     1.41267624 +1  108.0125486 +1   73.3183007 +1    19    18     4
  C     1.40914559 +1  108.0718953 +1   -0.5292350 +1    20    19    18
  C     1.41369899 +1  108.0322385 +1    0.1067058 +1    21    20    19
  C     1.22257099 +1  127.1933943 +1 -175.3356729 +1     3     1     4
  C     1.39731534 +1  143.5148365 +1 -177.7205784 +1    23     1     3
  C     1.40535030 +1  120.7889529 +1  -95.9404604 +1    24    23     1
  C     1.38723728 +1  119.9326533 +1 -179.1533101 +1    25    24    23
  C     1.39731583 +1  119.9574200 +1   -0.0981085 +1    26    25    24
  C     1.39394027 +1  120.4891899 +1   -0.1043454 +1    27    26    25
  C     1.39005595 +1  119.8968571 +1    0.2189648 +1    28    27    26
  C     1.51797307 +1  114.4438621 +1  126.7017651 +1     2     1     6
  C     1.54711540 +1  112.3275489 +1  -67.0716569 +1    30     2     1
  C     1.54445685 +1  109.4022737 +1 -118.9107348 +1    30     2    31
  C     1.54960758 +1  112.4675555 +1 -119.3778524 +1    30     2    32
  C     1.49140296 +1  123.7932905 +1 -120.0541961 +1     7     1     8
  C     1.54112213 +1  111.5276567 +1  -73.3204543 +1    34     7     1
  C     1.54237637 +1  107.8007179 +1 -119.3416499 +1    34     7    35
  C     1.54540767 +1  111.5640291 +1 -119.1776174 +1    34     7    36
  H     1.09332054 +1  119.9333802 +1  179.6260642 +1    25    24    26
  H     1.09183044 +1  119.9592446 +1  179.7911005 +1    26    25    27
  H     1.09375119 +1  119.6761043 +1  179.9395040 +1    27    26    28
  H     1.09336978 +1  120.4164348 +1 -179.9227801 +1    28    27    29
  H     1.09822120 +1  120.1173449 +1 -179.5843852 +1    29    28    27
  H     2.25260598 +1   98.0623450 +1  102.7205091 +1     2     1    30
  H     2.23215024 +1   95.3350216 +1  -96.3978989 +1     5     2     1
  H     1.06912563 +1  164.3895120 +1 -179.9048420 +1     5     2    44
  H     1.07064873 +1  123.2404296 +1   77.6440073 +1     6     2     1
  H     1.08550081 +1  113.8221224 +1   62.2927144 +1    31    30     2
  H     1.09787955 +1  110.6153539 +1 -122.0661121 +1    31    30    47
  H     1.09626874 +1  110.3822191 +1 -117.3226670 +1    31    30    48
  H     1.09134529 +1  112.3038363 +1  175.1277723 +1    32    30     2
  H     1.09656111 +1  110.5003903 +1 -120.9162000 +1    32    30    50
  H     1.09564375 +1  110.8405532 +1 -117.8005818 +1    32    30    51
  H     1.09652005 +1  111.4615539 +1   42.2464398 +1    33    30     2
  H     1.08651965 +1  113.4697014 +1 -124.5662821 +1    33    30    53
  H     1.09789027 +1  110.1659244 +1 -118.4968888 +1    33    30    54
  H     1.06184141 +1  125.8560358 +1  173.7427287 +1     8     7     9
  H     1.06121670 +1  126.0802476 +1  170.7835985 +1     9     8    10
  H     1.06618127 +1  125.9522953 +1  175.8980407 +1    10     9    11
  H     1.06566374 +1  125.7081159 +1  178.1654383 +1    11    10     9
  H     1.09332192 +1  111.3117032 +1  178.4769690 +1    35    34     7
  H     1.09086770 +1  111.4823376 +1 -121.8807563 +1    35    34    60
  H     1.09901601 +1  110.3207179 +1 -119.0802492 +1    35    34    61
  H     1.09224656 +1  111.8504475 +1  178.2436447 +1    36    34     7
  H     1.09767182 +1  110.2384173 +1 -121.0362869 +1    36    34    63
  H     1.09556487 +1  110.6212591 +1 -117.5954546 +1    36    34    64
  H     1.08799211 +1  111.0732118 +1  -62.9386550 +1    37    34     7
  H     1.09570376 +1  110.3957197 +1 -120.0927245 +1    37    34    66
  H     1.09410398 +1  110.1835149 +1 -117.8688493 +1    37    34    67
  C     1.21458121 +1  105.1247363 +1  -14.4387838 +1    12     1     2
  C     1.40126322 +1  118.1399221 +1 -179.9710306 +1    69     1    12
  C     1.40322709 +1  119.8189242 +1  105.8362519 +1    70    69    54
  C     1.39005812 +1  119.6841708 +1 -177.9162973 +1    71    70    69
  C     1.39530859 +1  119.9656699 +1   -0.2827349 +1    72    71    70
  C     1.39566188 +1  120.4784947 +1   -0.5914829 +1    73    72    71
  C     1.38933854 +1  119.9415663 +1    0.5863636 +1    74    73    72
  H     1.09447471 +1  120.2652636 +1  179.9705627 +1    75    74    73
  H     1.09296384 +1  120.1881269 +1  179.7441049 +1    74    73    75
  H     1.09394306 +1  119.7683602 +1 -179.9173053 +1    73    72    74
  H     1.09300534 +1  119.8482793 +1  179.7327539 +1    72    71    73
  H     1.09274721 +1  119.9997626 +1  179.6547456 +1    71    70    72
  H     1.06298511 +1  126.1788245 +1  167.0843726 +1    14    13    15
  C     1.49590949 +1  112.8105121 +1  133.9354745 +1    13     4    17
  C     1.54267731 +1  112.1121477 +1  -89.9794053 +1    82    13     4
  H     1.08818082 +1  111.6987166 +1   65.5107770 +1    83    82    13
  H     1.09640811 +1  110.6556205 +1 -122.5786853 +1    83    82    84
  H     1.09714805 +1  110.4202247 +1 -117.4420837 +1    83    82    85
  C     1.54132451 +1  106.8996041 +1 -118.9763820 +1    82    13    83
  H     1.09341644 +1  111.7947972 +1 -179.8272016 +1    87    82    13
  H     1.09700296 +1  110.7045497 +1 -121.1139501 +1    87    82    88
  H     1.09744920 +1  110.6754742 +1 -117.9304281 +1    87    82    89
  C     1.54071835 +1  111.5682187 +1 -118.9680434 +1    82    13    87
  H     1.09801119 +1  110.8530362 +1   58.5544604 +1    91    82    13
  H     1.08941174 +1  111.7542270 +1 -121.2758301 +1    91    82    92
  H     1.09638303 +1  110.9150856 +1 -120.8282961 +1    91    82    93
  H     1.06687117 +1  126.4247108 +1  174.4777258 +1    16    15    14
  H     1.06284466 +1  124.6659756 +1  139.2312077 +1    17    13     4
  H     1.06377171 +1  126.0123727 +1  174.2377998 +1    19    18    20
  C     1.49064909 +1  113.6933446 +1 -123.9462370 +1    18     4    19
  C     1.54224135 +1  111.4404045 +1  -68.6914922 +1    98    18     4
  H     1.09460398 +1  111.0415255 +1  178.8654053 +1    99    98    18
  H     1.08845697 +1  112.0632440 +1 -120.9920610 +1    99    98   100
  H     1.09800977 +1  110.4090784 +1 -120.3415698 +1    99    98   101
  C     1.54057171 +1  108.2280348 +1 -119.4316623 +1    98    18    99
  H     1.09204790 +1  111.8606121 +1  178.9500960 +1   103    98    18
  H     1.09717456 +1  110.3661455 +1 -121.0798691 +1   103    98   104
  H     1.09652533 +1  110.5542625 +1 -117.6563550 +1   103    98   105
  C     1.54475976 +1  111.1648345 +1 -119.3745255 +1    98    18   103
  H     1.08704907 +1  112.2067073 +1  -62.4887868 +1   107    98    18
  H     1.09588692 +1  110.6442981 +1 -120.2921541 +1   107    98   108
  H     1.09715059 +1  110.6059186 +1 -118.3201361 +1   107    98   109
  H     1.06458306 +1  126.0599620 +1  174.4973975 +1    21    20    22
  H     1.06392431 +1  125.5198945 +1  174.6161723 +1    22    21    20
  H     1.06438700 +1  125.6545960 +1  175.0718365 +1    20    19    21
  H     1.06606485 +1  124.9750458 +1  176.2418485 +1    15    14    16
  C     1.07181686 +1   33.3695862 +1  106.9847879 +1    43     2     1
  C     1.06909389 +1   32.7827734 +1   -0.0887523 +1    44     5     2