Accuracy

Nd_(YURMUT) r   6650 Neodymium complex, CCDC: YURMUT (Geo)

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    #  Species Formula
  6640 Neodymium complex, CCDC: SOKBAV (Geo)C12H16N3O13Nd
  6641 Neodymium complex, CCDC: SOTXEE (Geo)C3H13N4O13Nd
  6642 Neodymium complex, CCDC: RIMQIN (Geo)C17H22N5O13Nd
  6643 Neodymium complex, CCDC: FIBXET (Geo)C2H12N7O13Nd
  6644 Neodymium complex, CCDC: SUCRIR (Geo)C12H16N7O13Nd
  6645 Neodymium complex, CCDC: BAWDIM10 (Geo)C8H18N3O14Nd
  6646 Neodymium complex, CCDC: RUGRAM (Geo)C8H18N3O14Nd
  6647 Neodymium complex, CCDC: FUHQII (Geo)C12H12O15Nd
  6648 Neodymium complex, CCDC: HOXNND01 (Geo)C12H24N3O15Nd
  6649 Neodymium complex, CCDC: BEXQIE (Geo)H2N5O16Nd
  6650 Neodymium complex, CCDC: YURMUT (Geo) C22H28N5O16Nd
  6651 Neodymium complex, CCDC: LEJSUO (Geo)C12H16N6O20Nd
  6652 Neodymium complex, CCDC: YOGRIV (Geo)C31H50N3OSi3Nd
  6653 Neodymium complex, CCDC: OFONIG (Geo)C30H48N3O3Si3Nd
  6654 Neodymium complex, CCDC: OFONUS (Geo)C45H54N3O3Si3Nd
  6655 Neodymium complex, CCDC: WOFMOT (Geo)C36H69Si6Nd
  6656 Neodymium complex, CCDC: IMACAA (Geo)C31H71OSi6Nd
  6657 Neodymium complex, CCDC: YIBSIL (Geo)C20H58N3O2Si6Nd
  6658 Neodymium complex, CCDC: RAMXAE (Geo)C33H31N4O12P2Nd
  6659 Neodymium complex, CCDC: DODVAT (Geo)C36H44N5O13P2Nd
  6660 Neodymium complex, CCDC: HERWAC (Geo)C18H42N5O18P2Nd


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: YURMUT
 <Nd-O2> <Nd-O3> <> <Nd-O4> <> <> <> <> <> <Nd-O6> <> <> <Nd-O7> GR=CCDC
 Nd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.46500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.49046624 +1   84.8937790 +1    0.0000000 +0     1     2     0
  O     2.50304680 +1   99.3299011 +1 -101.6497264 +1     1     2     3
  O     2.14670609 +1  124.4014919 +1  159.6002494 +1     4     1     2
  O     2.54070012 +1   86.3764567 +1  127.2345849 +1     1     2     3
  O     2.57550028 +1  173.5928304 +1   25.3578975 +1     1     2     3
  O     2.14827835 +1  118.1569612 +1   27.8082919 +1     6     1     2
  O     3.70191368 +1   95.5400785 +1 -162.6828908 +1     1     2     3
  O     2.14054782 +1  119.9140911 +1   81.1477109 +1     3     1     2
  O     2.69022914 +1   89.1351612 +1  174.0283308 +1     7     1     2
  O     2.62054790 +1   82.9283696 +1  156.4120621 +1     2     1     3
  N     1.22911549 +1   32.8782978 +1  177.4846046 +1     8     6     1
  N     1.22261158 +1   33.4565678 +1  176.8744113 +1    10     3     1
  N     1.22440837 +1   32.7209544 +1 -177.7569170 +1     5     4     1
  O     1.20718616 +1  125.3827344 +1 -179.2669832 +1    13     8     6
  O     1.20761226 +1  126.4467957 +1  179.9318353 +1    14    10     3
  O     1.21180253 +1  125.6394207 +1 -177.1807777 +1    15     5     4
  N     2.27120391 +1  175.9196849 +1 -176.5278678 +1     2     1     3
  N     2.26630560 +1  179.9973268 +1 -158.9224330 +1     7     1     2
  O     5.54450718 +1   99.1046781 +1  168.1731052 +1    20     7     1
  O     5.55911170 +1  100.3554887 +1  167.2376040 +1    19     2     1
  C     1.42133136 +1  120.5674212 +1 -179.9154171 +1    22    19     2
  C     1.35820964 +1    4.5188509 +1 -140.8609148 +1    22    19     2
  C     1.39622865 +1  125.6243387 +1 -144.6848271 +1    24    22    19
  C     1.39038612 +1  119.1183119 +1  178.3175920 +1    25    24    22
  C     1.40149455 +1  120.2561280 +1   -2.7752274 +1    26    25    24
  C     1.40314385 +1  120.2575685 +1    3.9834723 +1    27    26    25
  C     1.40459882 +1  113.4957700 +1   33.9869744 +1    24    22    19
  C     1.24199818 +1  145.7354933 +1  170.2972784 +1     2     1     3
  C     1.42168544 +1   65.2898149 +1  156.7306295 +1    12     2     1
  C     1.42965269 +1  168.8566085 +1   86.5007704 +1    12     2     1
  C     1.42171766 +1  108.0187040 +1   40.8903181 +1     9     1     2
  C     1.40844743 +1  124.1250372 +1 -176.4589063 +1     9     1     2
  C     1.43110343 +1  148.0995056 +1   64.5326717 +1    11     7     1
  C     1.41798782 +1   63.5342415 +1  153.0260189 +1    11     7     1
  C     1.23582927 +1  149.3014886 +1 -170.9574484 +1     7     1     2
  C     1.43036011 +1   98.5116367 +1  165.3660926 +1    20     7     1
  C     1.40154489 +1  116.3724051 +1  170.4540495 +1    38    20     7
  C     1.39108920 +1  120.1602462 +1 -177.9775296 +1    39    38    20
  C     1.39514522 +1  118.7818203 +1    1.5125521 +1    40    39    38
  C     1.40499873 +1  121.2096005 +1   -7.4359511 +1    41    40    39
  C     1.38502070 +1  119.3045352 +1    7.7942466 +1    42    41    40
  C     1.42135771 +1  121.8341612 +1 -179.6597104 +1    21    20     7
  H     1.02020564 +1  146.7906410 +1  -16.8844755 +1    19     2     1
  H     1.01989900 +1  146.8590767 +1  -16.2042171 +1    20     7     1
  H     1.09414856 +1  110.9591658 +1   68.2422394 +1    23    22    19
  H     1.09369878 +1  111.3934764 +1  -56.8500096 +1    23    22    19
  H     1.10008199 +1  101.8823725 +1 -174.3805137 +1    23    22    19
  H     1.08578440 +1  121.4392396 +1   -1.8271893 +1    25    24    22
  H     1.08917747 +1  119.0192635 +1  178.1718047 +1    26    25    24
  H     1.09369459 +1  121.7857820 +1  177.8459616 +1    28    27    26
  H     1.09351128 +1  119.7928691 +1    3.1698508 +1    29    24    22
  H     1.11865075 +1  109.3980567 +1 -107.6480744 +1    31    12     2
  H     1.10575404 +1  109.6377231 +1  132.0415008 +1    31    12     2
  H     1.09858133 +1  111.0253923 +1  121.5634638 +1    32    12     2
  H     1.11067758 +1  108.1042387 +1   -0.4243763 +1    32    12     2
  H     1.10008573 +1  112.8592163 +1  169.1000657 +1    33     9     1
  H     1.11350994 +1  106.3225812 +1   48.6517771 +1    33     9     1
  H     1.10105783 +1  113.1916570 +1 -163.5289393 +1    34     9     1
  H     1.11200548 +1  102.8332680 +1   78.5945886 +1    34     9     1
  H     1.10024617 +1  110.6144113 +1  125.1489703 +1    35    11     7
  H     1.10661015 +1  108.9238314 +1    3.8052981 +1    35    11     7
  H     1.11635570 +1  111.7283744 +1 -106.3124819 +1    36    11     7
  H     1.10773921 +1  107.4487553 +1  133.4476614 +1    36    11     7
  H     1.08892266 +1  120.6472421 +1    2.3474460 +1    39    38    20
  H     1.08535633 +1  119.6851108 +1  179.2218202 +1    40    39    38
  H     1.09250353 +1  119.8044519 +1 -172.4040462 +1    42    41    40
  H     1.09136668 +1  118.9501841 +1  179.6350191 +1    43    42    41
  H     1.09341764 +1  111.9969422 +1   54.6317061 +1    44    21    20
  H     1.09451458 +1  110.1959662 +1  -70.1855723 +1    44    21    20
  H     1.09974253 +1  102.0669616 +1  172.5048582 +1    44    21    20