Accuracy

Sc(III)ClO5N(2plus) (TUVXOX) r   2852 Sc(III)ClO5N(2+) (TUVXOX) (Geo)

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    #  Species Formula
  2842 Scandium(II) tetrafluoride 2EF4Sc
  2843 Scandium(II) hexafluorideF6Sc
  2844 Scandium(II) hexafluoride 2T2gF6Sc
  2845 Dimethyl scandium(III) thiol (Geo)C2H7SSc
  2846 Sc(III)N6(3-) (BUQMOP) (Geo)C6N6S6Sc
  2847 Sc(III)N6(3-) (BUQMOP)C6N6S6Sc
  2848 Scandium(I) chlorideClSc
  2849 Scandium(I) chloride (Geo)ClSc
  2850 Scandium(III) oxide chlorideOClSc
  2851 Scandium(III) oxide chloride (Geo)OClSc
  2852 Sc(III)ClO5N(2+) (TUVXOX) (Geo) C12H23NO5ClSc
  2853 Sc(III)ClO5N(2+) (TUVXOX)C12H23NO5ClSc
  2854 Sc(III)O5Cl2(+) (WATJAC) (Geo)C10H20O5Cl2Sc
  2855 Sc(III)O5Cl2(+) (WATJAC)C10H20O5Cl2Sc
  2856 Scandium trichlorideCl3Sc
  2857 Scandium(III) trichloride (Geo)Cl3Sc
  2858 Sc(III)N3Cl3 (NEZWEU) (Geo)C9H21N3Cl3Sc
  2859 Sc(III)N3Cl3 (NEZWEU)C9H21N3Cl3Sc
  2860 Sc(III)NCl3O2 (CORLAW) (Geo)C6H13NO2Cl3Sc
  2861 Sc(III)NCl3O2 (CORLAW)C6H13NO2Cl3Sc
  2862 Sc(III)Cl3O3 (TUVYAK) (Geo)H6O3Cl3Sc


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=2 PM7
Sc(III)ClO5N(2+) (TUVXOX)
 <Sc-Cl> <Sc-O><O-Sc-Cl> <><><> <><><> <><><> <><><> <Sc-N> GR=CCDC
 Sc     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.36125900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.13468000 +1   93.7694030 +1    0.0000000 +0     1     2     0
  O     2.34190053 +1   88.5918845 +1   73.7476696 +1     1     2     3
  O     2.28433899 +1   82.9383463 +1   71.3829096 +1     1     2     4
  O     2.34168489 +1   92.1882099 +1   71.5161710 +1     1     2     5
  O     2.29992632 +1   81.5523979 +1   70.9448209 +1     1     2     6
  N     2.27124000 +1  100.0943214 +1  177.0088976 +1     1     7     2
  C     1.44904837 +1  116.5903221 +1   84.1726074 +1     3     1     2
  H     1.10994014 +1  110.1749186 +1 -150.6245887 +1     9     3     1
  H     1.11312097 +1  101.0200866 +1 -116.1964921 +1     9     3    10
  C     1.44233246 +1  104.9532779 +1  -60.6193749 +1     4     1     2
  H     1.11475579 +1  108.0170369 +1 -174.4056475 +1    12     4     1
  H     1.11115889 +1  109.8453192 +1 -118.5805647 +1    12     4    13
  C     1.44643865 +1  109.3554498 +1  123.1330118 +1     4     1    12
  H     1.11283280 +1  109.6640842 +1  -68.2705399 +1    15     4     1
  H     1.11127188 +1  107.5626777 +1 -119.8470541 +1    15     4    16
  C     1.43571231 +1  113.3576648 +1 -108.4519498 +1     5     1     2
  H     1.10369847 +1  108.8616268 +1  -71.5027643 +1    18     5     1
  H     1.11330593 +1  108.4622668 +1 -120.1134533 +1    18     5    19
  C     1.43539271 +1  112.3520559 +1 -137.9030542 +1     5     1    18
  H     1.11325401 +1  108.6344024 +1 -169.7664097 +1    21     5     1
  H     1.10360222 +1  108.8044955 +1 -120.0617744 +1    21     5    22
  C     1.44706109 +1  108.7424493 +1  -62.8478747 +1     6     1     2
  H     1.11144137 +1  107.7029848 +1 -171.1681516 +1    24     6     1
  H     1.11369869 +1  109.1497203 +1 -119.6360686 +1    24     6    25
  C     1.44738627 +1  109.2404530 +1  124.1052037 +1     6     1    24
  H     1.11373341 +1  109.1493694 +1  -68.9060859 +1    27     6     1
  H     1.11139550 +1  107.6845380 +1 -119.6805805 +1    27     6    28
  C     1.43536812 +1  112.5029167 +1 -114.2300459 +1     7     1     2
  H     1.10360221 +1  109.0736373 +1  -70.2323475 +1    30     7     1
  H     1.11336899 +1  108.5467431 +1 -120.1983715 +1    30     7    31
  C     1.43260427 +1  111.3539328 +1 -135.8994612 +1     7     1    30
  H     1.11484775 +1  108.3033639 +1 -162.5373147 +1    33     7     1
  H     1.10462403 +1  109.3944169 +1 -120.1576011 +1    33     7    34
  C     1.45865212 +1  112.8528678 +1 -140.4850269 +1     3     1     9
  H     1.10949160 +1  108.2310055 +1 -174.1240412 +1    36     3     1
  H     1.11259120 +1  107.3246649 +1 -119.9272805 +1    36     3    37
  C     1.16289249 +1  178.5215518 +1   30.6275167 +1     8     1     3
  C     1.42129960 +1  179.9096609 +1  -32.4382941 +1    39     8    35
  H     1.12041869 +1  113.2457933 +1  -74.9511126 +1    40    39    35
  H     1.12060339 +1  113.1597312 +1  120.0184393 +1    40    39    41
  H     1.12029224 +1  113.2568502 +1  119.8829718 +1    40    39    42