Accuracy

Mn(II)O4N2 (XOYHAU) r   3267 Mn(II)O4N2 (XOYHAU) (Geo)

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    #  Species Formula
  3257 Mn(CO)5CH3C6H3O5Mn
  3258 Mn(CO)5(C6H5)C11H5O5Mn
  3259 Mn(CO)5(C6H5CH2)C12H7O5Mn
  3260 Mn(II)(H2O)6H12O6Mn
  3261 Mn(H2O)6, 2+ion (Geo)H12O6Mn
  3262 Manganese hexacarbonyl, cationC6O6Mn
  3263 Manganese hexacarbonyl, cation (Geo)C6O6Mn
  3264 Mn(CO)5COCH3C7H3O6Mn
  3265 Mn(CO)5(C6H5CO)C12H5O6Mn
  3266 Mn(acac)3C15H21O6Mn
  3267 Mn(II)O4N2 (XOYHAU) (Geo) C12H12N2O6Mn
  3268 Mn(III)EDTA(-) (EDTMNK01) (Geo)C10H12N2O8Mn
  3269 Mn(III)EDTA(-) (EDTMNK01)C10H12N2O8Mn
  3270 Mn(III)O6(-) (KAMMND) (Geo)C6H8O10Mn
  3271 Mn(III)O6(-) (KAMMND)C6H8O10Mn
  3272 Manganese(I) fluorideFMn
  3273 Manganese(I) fluoride (Geo)FMn
  3274 Manganese(IV) oxide difluoride (Geo)OF2Mn
  3275 Mn(CO)5C (CDFVMN) (Geo)HC7O5F2Mn
  3276 Mn(CO)5C (CDFVMN)HC7O5F2Mn
  3277 Mn(CO)5CF3C6O5F3Mn


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF SEXTET PM7
Mn(II)O4N2 (XOYHAU)
 <Mn-O> <><O-Mn-O> <><><> <><><> <><><> <><><> <Mn-N> GR=CCDC
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.14658600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.01743504 +1   85.4100620 +1    0.0000000 +0     1     2     0
  O     2.00146964 +1  149.7955470 +1  -57.6791596 +1     1     2     3
  O     2.21894048 +1  140.4202663 +1  -73.3438929 +1     4     1     2
  O     2.01361445 +1   75.7852292 +1  138.6024561 +1     1     2     4
  O     2.22728091 +1  138.5832114 +1  107.5388477 +1     6     1     2
  N     2.25684400 +1   77.9975257 +1 -178.7189546 +1     1     2     6
  N     1.94023240 +1  107.7407036 +1 -101.6044751 +1     1     2     8
  C     1.35083116 +1  132.1761643 +1  -12.3568585 +1     8     1     2
  C     1.40291479 +1  121.3349383 +1 -179.3128924 +1    10     8     1
  C     1.39299926 +1  119.4653158 +1    0.2648688 +1    11    10     8
  C     1.39399175 +1  119.2027602 +1    0.3713111 +1    12    11    10
  C     1.35302122 +1  108.9728383 +1 -178.6681939 +1     8     1    10
  C     1.21237936 +1   28.7975941 +1   32.9731890 +1     5     4     1
  C     1.36115560 +1  128.5838853 +1  112.8616330 +1     9     1     2
  C     1.40119750 +1  121.2853326 +1  166.0171787 +1    16     9     1
  C     1.39245115 +1  119.8909248 +1   -0.6057040 +1    17    16     9
  C     1.39341610 +1  119.0388616 +1    0.2809006 +1    18    17    16
  C     1.36619263 +1  111.6813148 +1  166.0247300 +1     9     1    16
  C     1.21033297 +1   28.1758618 +1    8.1457150 +1     7     6     1
  H     1.09916594 +1  117.3826090 +1 -179.9929071 +1    10     8    11
  H     1.08742252 +1  119.7864879 +1  179.9393103 +1    11    10    12
  H     1.09012130 +1  120.4336274 +1  179.7632793 +1    12    11    13
  H     1.09251375 +1  122.1623728 +1  179.1373307 +1    13    12    11
  H     1.10001209 +1  118.5562819 +1  179.6002816 +1    16     9    17
  H     1.08955825 +1  119.3618665 +1 -179.4620522 +1    17    16    18
  H     1.09076399 +1  120.5546070 +1 -179.9432985 +1    18    17    19
  H     1.09392148 +1  122.0603771 +1  179.8742008 +1    19    18    17
  H     1.01633940 +1   93.2428846 +1  -95.3796534 +1     2     1     3
  H     1.03051766 +1   87.8228193 +1  105.8755267 +1     3     1     2
  H     1.00775207 +1   89.5817249 +1  100.1025810 +1     2     1    30
  H     1.04873008 +1   85.1898440 +1  101.7427716 +1     3     1    31