Accuracy

Mn(CO)2SCp (VALXAI) r   3286 Mn(CO)2SCp (VALXAI) (Geo)

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    #  Species Formula
  3276 Mn(CO)5C (CDFVMN)HC7O5F2Mn
  3277 Mn(CO)5CF3C6O5F3Mn
  3278 Mn(CO)5COCF3C7O6F3Mn
  3279 Mn(CO)4O (FACMNA) (Geo)C7O7F3Mn
  3280 Mn(CO)4O (FACMNA)C7O7F3Mn
  3281 Mn(CO)4Si2 (KIRYUF) (Geo)C9H15O5Si2Mn
  3282 Manganese(III) phosphidePMn
  3283 Manganese(III) phosphide (Geo)PMn
  3284 Manganese(II) sulfideSMn
  3285 Manganese(II) sulfide (Geo)SMn
  3286 Mn(CO)2SCp (VALXAI) (Geo) C9H11O2SMn
  3287 Mn(CO)2SCp (VALXAI)C9H11O2SMn
  3288 Mn(CO)2CpS (CPCSMN) (Geo)C7H5O4SMn
  3289 Mn(CO)2CpS (CPCSMN)C7H5O4SMn
  3290 Mn(II)S2O4 (WIFSEJ) (Geo)C4H8N2O6S2Mn
  3291 Mn(III)S4N(-) (COWHOL) (Geo)C7H12N2S4Mn
  3292 Mn(III)S4N(-) (COWHOL)C7H12N2S4Mn
  3293 Manganese(I) chlorideClMn
  3294 Manganese(I) chloride (Geo)ClMn
  3295 Mn(CO)5Cl (ZOSWEJ) (Geo)C5O5ClMn
  3296 Mn(CO)5ClC5O5ClMn


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Mn(CO)2SCp (VALXAI)
 <Mn-S> <Mn-C(O)><> <><><> <Mn-C(C4)> GR=CCDC
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.27460000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.76726000 +1   89.4579469 +1    0.0000000 +0     1     2     0
  C     1.83114124 +1   88.5273524 +1   91.5692387 +1     1     2     3
  C     2.11940800 +1  147.9968228 +1  173.1100297 +1     1     2     4
  H     1.08546453 +1  128.2912849 +1  112.3319788 +1     5     1     2
  C     1.44985246 +1   72.3156827 +1  122.1069141 +1     5     1     6
  H     1.08234654 +1  126.4483819 +1 -122.8997302 +1     7     5     1
  C     1.45827736 +1  107.5501542 +1 -175.4798873 +1     7     5     8
  H     1.07908481 +1  125.5878025 +1  175.7499406 +1     9     7     5
  C     1.44262050 +1  107.8119196 +1 -173.4040283 +1     9     7    10
  H     1.08208434 +1  125.2377404 +1  173.7237937 +1    11     9     7
  C     1.44285363 +1  109.1583098 +1 -174.8435006 +1    11     9    12
  H     1.07851640 +1  126.7983489 +1  173.6419162 +1    13    11     9
  C     1.84758309 +1  110.4286245 +1 -172.0882587 +1     2     1     3
  H     1.09617298 +1  109.0470418 +1 -175.3390525 +1    15     2     1
  H     1.09695362 +1  109.8428618 +1 -117.2350568 +1    15     2    16
  H     1.09245953 +1  114.6658925 +1 -121.6627514 +1    15     2    17
  C     1.84723086 +1  110.2548873 +1 -106.9283535 +1     2     1    15
  H     1.09778891 +1  109.5383037 +1  -69.6186535 +1    19     2     1
  H     1.09249633 +1  114.7182029 +1  121.5130187 +1    19     2    20
  H     1.09595564 +1  109.2043690 +1  121.3444177 +1    19     2    21
  O     1.15918885 +1  128.4217314 +1  179.8460986 +1     3     2     1
  O     1.15404841 +1  129.2826193 +1 -179.8890905 +1     4     2     1