Accuracy

Nd_(XONYII) r   6608 Neodymium complex, CCDC: XONYII (Geo)

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    #  Species Formula
  6598 Praseodymium complex, CCDC: JERWOS (Geo)C4H30O16Pr2
  6599 Praseodymium complex, CCDC: ACURLB (Geo)C16H34N8O16Pr2
  6600 Praseodymium complex, CCDC: CUMCOC (Geo)C16H28O18Pr2
  6601 Praseodymium complex, CCDC: HEDBOH (Geo)C30H42N8O18Pr2
  6602 Praseodymium complex, CCDC: XIZRAZ (Geo)C20H32N8O20Pr2
  6603 Praseodymium complex, CCDC: PAJJIT (Geo)C24H30N4O6F36Pr2
  6604 Praseodymium complex, CCDC: BABZOT (Geo)C42H34O20Cl12Pr2
  6605 Neodymium complex, CCDC: QEBJIQ (Geo)C25H37Nd
  6606 Neodymium complex, CCDC: FIMFEM (Geo)C20H20NNd
  6607 Neodymium complex, CCDC: BILSIY (Geo)C14H39N9Nd
  6608 Neodymium complex, CCDC: XONYII (Geo) C45H33N9Nd
  6609 Neodymium complex, CCDC: LUDQIK (Geo)C30H42N11Nd
  6610 Neodymium complex, CCDC: NAVCIW (Geo)C34H50B2N14Nd
  6611 Neodymium complex, CCDC: MEDMIR (Geo)C20H27O2Nd
  6612 Neodymium complex, CCDC: WEFPUS (Geo)C38H61O2Nd
  6613 Neodymium complex, CCDC: VIVBOR (Geo)C36H39O3Nd
  6614 Neodymium complex, CCDC: MIPTIO (Geo)C27H27N4O3Nd
  6615 Neodymium complex, CCDC: WEFVUY (Geo)C57H57N6O3Nd
  6616 Neodymium complex, CCDC: QAYWOC (Geo)C49H77O4Nd
  6617 Neodymium complex, CCDC: ROMXIA (Geo)C72H52O4Nd
  6618 Neodymium complex, CCDC: RIJSEI (Geo)C58H49O5Nd


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
Neodymium complex, CCDC: XONYII
 <Nd-N2> <Nd-N2> <> <Nd-N4> <> <> <Nd-N4> <> <> <Nd-N6> <> <> <Nd-N7> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.58699991 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.58700000 +1  130.5778837 +1    0.0000000 +0     1     2     0
  N     2.61659980 +1   91.5080813 +1 -144.0527600 +1     1     2     3
  N     2.61660018 +1  126.6628553 +1  131.9516316 +1     1     2     3
  N     2.61779953 +1  137.1578475 +1  -93.4225986 +1     1     2     3
  N     2.61786319 +1   63.4680299 +1  129.7600883 +1     1     2     3
  N     3.45083116 +1   65.3917442 +1   -0.7661031 +1     1     2     3
  N     3.47372395 +1   70.3435641 +1   52.8551414 +1     1     2     3
  N     3.47445421 +1   77.8977001 +1  -51.5885596 +1     1     2     3
  C     1.36005803 +1  121.9218747 +1   49.2873092 +1     3     1     2
  H     1.10738335 +1  116.1258723 +1    8.5218133 +1    11     3     1
  C     1.39821518 +1  123.8162043 +1 -170.8058894 +1    11     3     1
  H     1.09744435 +1  120.0329414 +1 -179.8611304 +1    13    11     3
  C     1.38682190 +1  118.8300820 +1   -0.0360373 +1    13    11     3
  H     1.10167886 +1  121.1839949 +1  179.5386117 +1    15    13    11
  C     1.40120547 +1  118.5550220 +1   -1.0277319 +1    15    13    11
  H     1.09497046 +1  118.5802631 +1 -179.3695334 +1    17    15    13
  C     1.37821693 +1  120.9924288 +1 -122.9585060 +1     3     1     2
  C     1.36832036 +1  120.6888468 +1  117.0310049 +1     6     1     2
  C     1.39800887 +1  122.0900091 +1 -177.6595510 +1    20     6     1
  H     1.09672045 +1  121.3546354 +1 -178.5409720 +1    21    20     6
  C     1.39299976 +1  119.4364809 +1    1.2594340 +1    21    20     6
  H     1.10340208 +1  120.5325058 +1  179.2446893 +1    23    21    20
  C     1.39366635 +1  118.9341253 +1   -0.9294967 +1    23    21    20
  H     1.09704445 +1  119.2172898 +1  179.4093091 +1    25    23    21
  C     1.36842101 +1  121.2865333 +1  -60.5164373 +1     6     1     2
  C     1.37482299 +1  120.7348317 +1  149.1550745 +1     4     1     2
  C     1.39475880 +1  122.1852443 +1  170.8993398 +1    28     4     1
  H     1.09609325 +1  121.4214856 +1 -177.8521654 +1    29    28     4
  C     1.39853834 +1  119.8380653 +1    2.0415790 +1    29    28     4
  H     1.10253394 +1  120.4356369 +1  179.8751214 +1    31    29    28
  C     1.39064693 +1  118.5952839 +1    0.2610311 +1    31    29    28
  H     1.09778398 +1  120.8929412 +1  178.6704245 +1    33    31    29
  C     1.36108854 +1  122.2566522 +1  -37.1718506 +1     4     1     2
  H     1.09957061 +1  115.7989261 +1    8.0145187 +1    35     4     1
  C     1.35022899 +1  114.1361841 +1 -121.1861540 +1    10     1     2
  H     1.09694863 +1  115.6429870 +1   46.5547552 +1    37    10     1
  C     1.39743023 +1  122.9957134 +1 -134.5342498 +1    37    10     1
  H     1.09330267 +1  120.6136022 +1 -178.1395189 +1    39    37    10
  C     1.39337519 +1  118.4867977 +1    0.8096175 +1    39    37    10
  H     1.09946869 +1  120.6035622 +1  179.3004015 +1    41    39    37
  C     1.39388460 +1  119.0426355 +1   -2.1578784 +1    41    39    37
  H     1.09302043 +1  119.9745785 +1 -179.2312707 +1    43    41    39
  C     1.35438080 +1  113.5389814 +1   99.2371008 +1    10     1     2
  C     1.35421900 +1  120.8940988 +1 -109.8399721 +1     8     1     2
  C     1.40360292 +1  122.4106214 +1  178.8731296 +1    46     8     1
  H     1.09527164 +1  120.8590394 +1 -175.9646580 +1    47    46     8
  C     1.39189896 +1  119.0116111 +1    3.6145781 +1    47    46     8
  H     1.10087909 +1  120.5598982 +1  178.2722068 +1    49    47    46
  C     1.36015983 +1  121.8714897 +1   50.3925341 +1     2     1     3
  H     1.10753083 +1  116.1171776 +1    8.1681070 +1    51     2     1
  C     1.39815931 +1  123.8114795 +1 -171.1066319 +1    51     2     1
  H     1.09752911 +1  120.0463469 +1 -179.8447599 +1    53    51     2
  C     1.38691333 +1  118.8199996 +1    0.0103955 +1    53    51     2
  H     1.10170122 +1  121.1702209 +1  179.5228473 +1    55    53    51
  C     1.40112374 +1  118.5763359 +1   -1.0210705 +1    55    53    51
  H     1.09494508 +1  118.5871740 +1 -179.3661547 +1    57    55    53
  C     1.37807371 +1  121.0561945 +1 -122.0470615 +1     2     1     3
  C     1.36839748 +1  120.7099118 +1   -5.4018851 +1     7     1     2
  C     1.37477208 +1  120.6971611 +1    3.3187588 +1     5     1     2
  C     1.36835514 +1  121.2587011 +1  177.6147760 +1     7     1     2
  C     1.39743221 +1  122.1706811 +1  175.4218287 +1    62     7     1
  C     1.39368312 +1  119.3747388 +1    1.8683295 +1    63    62     7
  C     1.39796590 +1  122.0869735 +1 -176.9828598 +1    60     7     1
  H     1.09669673 +1  121.3421047 +1 -178.6584957 +1    65    60     7
  H     1.10336195 +1  120.5456366 +1  179.3211916 +1    64    63    62
  H     1.09698820 +1  121.3965179 +1 -178.0294263 +1    63    62     7
  C     1.39466017 +1  122.2079803 +1  170.2914308 +1    61     5     1
  H     1.09607044 +1  121.4262487 +1 -177.6599043 +1    69    61     5
  C     1.39856544 +1  119.8127586 +1    2.2666427 +1    69    61     5
  H     1.10249387 +1  120.4278339 +1  179.8445952 +1    71    69    61
  C     1.39067940 +1  118.6049124 +1    0.2711551 +1    71    69    61
  H     1.09774356 +1  120.8944563 +1  178.5533462 +1    73    71    69
  C     1.36106335 +1  122.2748647 +1  176.6689998 +1     5     1     2
  H     1.09955186 +1  115.8012324 +1    8.5147082 +1    75     5     1
  C     1.35032498 +1  114.2990447 +1   96.7881959 +1     9     1     2
  H     1.09686539 +1  115.6417611 +1   45.7780150 +1    77     9     1
  C     1.39730360 +1  123.0026599 +1 -135.3142342 +1    77     9     1
  H     1.09330832 +1  120.6238748 +1 -178.0871053 +1    79    77     9
  C     1.39344750 +1  118.4849919 +1    0.8541363 +1    79    77     9
  H     1.09949000 +1  120.5971720 +1  179.2931131 +1    81    79    77
  C     1.39380462 +1  119.0367034 +1   -2.1795949 +1    81    79    77
  H     1.09312945 +1  119.9931592 +1 -179.2626745 +1    83    81    79
  C     1.35436476 +1  113.8496548 +1  -43.3626516 +1     9     1     2
  C     1.35411727 +1  120.9893535 +1   70.8234925 +1     8     1     2
  C     1.39182281 +1  118.8921387 +1   -1.7638190 +1    49    47    46
  H     1.09527906 +1  120.1424474 +1  177.9612129 +1    87    49    47