Accuracy

Sm_(WIGVOX) r   6727 Samarium complex, CCDC: WIGVOX (Geo)

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    #  Species Formula
  6717 Samarium complex, CCDC: FINDOV (Geo)C30H27N3O3F15Sm
  6718 Samarium complex, CCDC: XIVFIR (Geo)C27H19N3O7F18Sm
  6719 Samarium complex, CCDC: WOCNIL (Geo)C31H35N3OF15Si3Sm
  6720 Samarium complex, CCDC: XAGVOQ (Geo)C20H58N3O2Si6Sm
  6721 Samarium complex, CCDC: XILGOO (Geo)C29H46N6O7F3SSm
  6722 Samarium complex, CCDC: GUPHUU (Geo)C12H20N4O4S4Sm
  6723 Samarium complex, CCDC: XOGYOH (Geo)C32H16O8F12S4Sm
  6724 Samarium complex, CCDC: HAWMUN (Geo)C19H24N4O4S3ClSm
  6725 Samarium complex, CCDC: ADELAW (Geo)C27H24N4O3Cl3Sm
  6726 Samarium complex, CCDC: DOXFUR (Geo)C20H40O5I2Sm
  6727 Samarium complex, CCDC: WIGVOX (Geo) C40H62N20O2Sm2
  6728 Samarium complex, CCDC: HAPMEQ (Geo)C54H54N8O6Sm2
  6729 Samarium complex, CCDC: MEWGOK (Geo)C56H42N4O12Sm2
  6730 Samarium complex, CCDC: LIXDUR (Geo)C66H46N4O12Sm2
  6731 Samarium complex, CCDC: QQQEMA01 (Geo)C12H26O14Sm2
  6732 Samarium complex, CCDC: SOXKAR (Geo)C12H26O16Sm2
  6733 Samarium complex, CCDC: SMNICD (Geo)C36H32N6O16Sm2
  6734 Samarium complex, CCDC: CUMDAP (Geo)C16H28O18Sm2
  6735 Samarium complex, CCDC: COSLEB (Geo)C42H42O24Sm2
  6736 Europium complex, CCDC: GAPRUK (Geo)C72H88N8Eu
  6737 Europium complex, CCDC: HAZGAQ (Geo)C48H42N14Eu


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=+4 GNORM=5
Samarium complex, CCDC: WIGVOX
 <Sm-O2> <Sm-O3> <> <Sm-N4> <> <> <Sm-N5> <> <> <Sm-N6> <> <> <Sm-Sm> <> <> <Sm-N8> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.28869987 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.31290000 +1   65.5330123 +1    0.0000000 +0     1     2     0
  N     2.50460023 +1  126.1915122 +1  -56.0518269 +1     1     2     3
  N     2.53110041 +1   82.5545462 +1  134.7440697 +1     1     2     3
  N     2.53350014 +1  128.6231258 +1   60.2555044 +1     1     2     3
 Sm     2.28799953 +1  103.8566537 +1    1.3138982 +1     3     1     2
  N     2.56290010 +1   75.5858730 +1 -135.2328818 +1     1     2     3
  N     3.35360639 +1  146.3312038 +1 -176.1005805 +1     1     2     3
  N     2.25214683 +1  161.3424962 +1  119.1309446 +1     4     1     2
  N     2.24991237 +1  165.8403970 +1   40.5948139 +1     8     1     2
  N     2.25096178 +1  164.3725291 +1  155.8257575 +1     6     1     2
  N     2.25282094 +1  162.7015260 +1 -137.2536544 +1     5     1     2
  N     2.24201406 +1  164.2767816 +1  123.7600577 +1     9     1     2
  C     1.63816734 +1   -1.7794963 +1    2.6906353 +1     0     0     0
  C     0.52247805 +1   -3.7053158 +1    2.9405522 +1     0     0     0
  N     2.30799266 +1    3.3828794 +1    2.4733298 +1     0     0     0
  C    -0.05610782 +1   -2.9727147 +1    1.9150291 +1     0     0     0
  C     2.44298892 +1   -3.3186675 +1    4.5248219 +1     0     0     0
  C    -0.13633928 +1   -1.7818092 +1   -3.0769367 +1     0     0     0
  C     0.77592858 +1   -3.7958518 +1   -2.7327869 +1     0     0     0
  C     0.90063640 +1   -3.0353842 +1   -1.5792290 +1     0     0     0
  N     4.68771386 +1   -0.1612712 +1    2.1713052 +1     0     0     0
  C    -0.22679561 +1   -3.3966557 +1   -5.0143299 +1     0     0     0
  C    -2.82114384 +1    0.5493299 +1   -2.1263058 +1     0     0     0
  C    -2.46145361 +1    2.4812246 +1   -3.1985523 +1     0     0     0
  C    -1.36482202 +1    2.1940466 +1   -2.4002780 +1     0     0     0
  N     3.28017766 +1    3.8206520 +1   -2.2757659 +1     0     0     0
  C    -4.66960866 +1    1.3406461 +1   -3.6492008 +1     0     0     0
  C    -2.30716128 +1    2.2041946 +1    1.4549708 +1     0     0     0
  C    -2.66251449 +1    1.5842539 +1    3.5748117 +1     0     0     0
  C    -1.71485724 +1    0.7440067 +1    3.0076981 +1     0     0     0
  N     5.34571869 +1    0.8686468 +1   -2.1165451 +1     0     0     0
  C    -4.01760391 +1    3.5455544 +1    2.7329734 +1     0     0     0
  C    -3.86414902 +1   -1.7286792 +1    0.9487340 +1     0     0     0
  C    -4.25982185 +1   -3.5292276 +1   -0.3243816 +1     0     0     0
  C    -3.02662132 +1   -2.9726632 +1   -0.6663881 +1     0     0     0
  N     1.05654820 +1    4.3945400 +1    4.0325105 +1     0     0     0
  C    -6.04780185 +1   -2.9468160 +1    1.3559562 +1     0     0     0
  C     1.12685495 +1    3.3435063 +1    3.1425070 +1     0     0     0
  C     3.00268957 +1    4.4859064 +1    2.9541374 +1     0     0     0
  N     5.70820293 +1    3.2924428 +1    0.7045380 +1     0     0     0
  C     2.23472021 +1    5.1285932 +1    3.9248499 +1     0     0     0
  C    -0.03149756 +1    4.7031694 +1    4.9420232 +1     0     0     0
  C     4.05901369 +1    3.8735378 +1   -3.3914477 +1     0     0     0
  C     2.59129428 +1    5.0298310 +1   -2.2189199 +1     0     0     0
  C     2.95571640 +1    5.8204751 +1   -3.3069996 +1     0     0     0
  N     6.20766382 +1   -1.3615000 +1    3.3036521 +1     0     0     0
  C     4.54977328 +1    5.5346187 +1   -5.2389163 +1     0     0     0
  C     6.63584764 +1    1.3014262 +1   -2.1772686 +1     0     0     0
  C     5.14098456 +1    0.0805271 +1   -3.2461886 +1     0     0     0
  N     7.24290323 +1    0.8158287 +1   -3.3136431 +1     0     0     0
  C     6.31292779 +1    0.0426548 +1   -4.0007046 +1     0     0     0
  C     8.62178967 +1    1.0290047 +1   -3.7158450 +1     0     0     0
  C     5.69036118 +1   -1.0711024 +1    2.0582887 +1     0     0     0
  C     4.57760881 +1    0.1401583 +1    3.5254016 +1     0     0     0
  N     3.88029453 +1    5.0775577 +1   -4.0343302 +1     0     0     0
  C     5.51410768 +1   -0.6049820 +1    4.2415268 +1     0     0     0
  C     7.31516958 +1   -2.2531597 +1    3.6008091 +1     0     0     0
  C     6.61201922 +1    3.1447797 +1    1.7125758 +1     0     0     0
  C     5.98968888 +1    4.5158458 +1    0.0985065 +1     0     0     0
  N     7.44719537 +1    4.2373206 +1    1.7585326 +1     0     0     0
  C     7.06787586 +1    5.1136947 +1    0.7454418 +1     0     0     0
  C     8.52630223 +1    4.4716462 +1    2.7004757 +1     0     0     0
  H     2.36145747 +1   -0.9899505 +1    2.8374600 +1     0     0     0
  H     0.26686582 +1   -4.6739536 +1    3.3490390 +1     0     0     0
  H    -0.91279685 +1   -3.2174660 +1    1.3027452 +1     0     0     0
  H     3.27961032 +1   -2.6123548 +1    4.6653796 +1     0     0     0
  H     1.86145280 +1   -3.3504001 +1    5.4774113 +1     0     0     0
  H     2.87455371 +1   -4.3325557 +1    4.3608906 +1     0     0     0
  H    -0.63741897 +1   -0.9516913 +1   -3.5563568 +1     0     0     0
  H     1.09084000 +1   -4.8067817 +1   -2.9494162 +1     0     0     0
  H     1.33660959 +1   -3.3075642 +1   -0.6361609 +1     0     0     0
  H    -0.89079942 +1   -2.6633735 +1   -5.5111255 +1     0     0     0
  H     0.68579441 +1   -3.5075958 +1   -5.6421031 +1     0     0     0
  H    -0.75332588 +1   -4.3790728 +1   -5.0094747 +1     0     0     0
  H    -3.29552622 +1   -0.3665148 +1   -1.7814717 +1     0     0     0
  H    -2.65449772 +1    3.3142999 +1   -3.8580711 +1     0     0     0
  H    -0.45614451 +1    2.7519859 +1   -2.2656347 +1     0     0     0
  H    -4.59740961 +1    1.5504890 +1   -4.7403347 +1     0     0     0
  H    -5.11412969 +1    0.3329078 +1   -3.5313418 +1     0     0     0
  H    -5.37966161 +1    2.0779015 +1   -3.2117481 +1     0     0     0
  H    -2.37920645 +1    2.7362422 +1    0.5155771 +1     0     0     0
  H    -3.09664567 +1    1.5894717 +1    4.5642931 +1     0     0     0
  H    -1.20675467 +1   -0.0990917 +1    3.4439296 +1     0     0     0
  H    -4.16401540 +1    4.1160925 +1    1.7951829 +1     0     0     0
  H    -5.00499960 +1    3.1148536 +1    3.0188112 +1     0     0     0
  H    -3.72211566 +1    4.2676841 +1    3.5253251 +1     0     0     0
  H    -3.98971183 +1   -0.9649042 +1    1.6964507 +1     0     0     0
  H    -4.77516966 +1   -4.3929915 +1   -0.7119511 +1     0     0     0
  H    -2.31674216 +1   -3.3003524 +1   -1.3975492 +1     0     0     0
  H    -6.22729295 +1   -2.1991692 +1    2.1512374 +1     0     0     0
  H    -6.88842338 +1   -2.8791579 +1    0.6305978 +1     0     0     0
  H    -6.08699071 +1   -3.9544379 +1    1.8272221 +1     0     0     0
  H     0.52275665 +1    2.9138686 +1    0.1990689 +1     0     0     0
  H     2.65737777 +1   -0.9032138 +1    0.1522193 +1     0     0     0
  H     0.35923476 +1    2.6039631 +1    3.0092533 +1     0     0     0
  H     3.98086749 +1    4.7405774 +1    2.5852480 +1     0     0     0
  H     4.71399629 +1    3.0852028 +1   -3.7277009 +1     0     0     0
  H     1.90224527 +1    5.2492358 +1   -1.4278169 +1     0     0     0
  H     7.11368020 +1    1.9364220 +1   -1.4452325 +1     0     0     0
  H     4.20412466 +1   -0.3983133 +1   -3.4372400 +1     0     0     0
  H     6.03535366 +1   -1.5087848 +1    1.1350701 +1     0     0     0
  H     3.87221189 +1    0.8639781 +1    3.8883043 +1     0     0     0
  H     6.66624602 +1    2.2990393 +1    2.3781220 +1     0     0     0
  H     5.41567854 +1    4.8771991 +1   -0.7331369 +1     0     0     0
  H     2.43438388 +1    6.0105527 +1    4.5149526 +1     0     0     0
  H     2.63897682 +1    6.8100774 +1   -3.5960480 +1     0     0     0
  H     6.53209278 +1   -0.4578596 +1   -4.9305712 +1     0     0     0
  H     5.72554732 +1   -0.6330435 +1    5.2985649 +1     0     0     0
  H     7.56129937 +1    6.0556448 +1    0.5667788 +1     0     0     0
  H    -0.86060111 +1    3.9845705 +1    4.8501095 +1     0     0     0
  H     0.32242330 +1    4.6791254 +1    6.0002248 +1     0     0     0
  H    -0.43250095 +1    5.7240181 +1    4.7436921 +1     0     0     0
  H     5.26443890 +1    4.7840811 +1   -5.6243961 +1     0     0     0
  H     3.81388848 +1    5.7459662 +1   -6.0466192 +1     0     0     0
  H     5.11716952 +1    6.4728347 +1   -5.0430815 +1     0     0     0
  H     8.76722319 +1    0.7979647 +1   -4.7939471 +1     0     0     0
  H     8.93509773 +1    2.0799326 +1   -3.5544798 +1     0     0     0
  H     9.31022310 +1    0.3726401 +1   -3.1404565 +1     0     0     0
  H     7.73302252 +1   -2.7094072 +1    2.6820528 +1     0     0     0
  H     8.14074833 +1   -1.7058775 +1    4.1084992 +1     0     0     0
  H     6.99850838 +1   -3.0768441 +1    4.2748680 +1     0     0     0
  H     8.60462993 +1    3.6598287 +1    3.4473094 +1     0     0     0
  H     9.50493959 +1    4.5453076 +1    2.1738393 +1     0     0     0
  H     8.36633683 +1    5.4242418 +1    3.2557805 +1     0     0     0