Accuracy

Mn(CO)3Cp (CPMNCO) r   3246 Mn(CO)3Cp (CPMNCO) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3236 Mn(II)(NH3)6H18N6Mn
  3237 Mn(II)(NH3)6 (Geo)H18N6Mn
  3238 Manganese(II) oxideOMn
  3239 Manganese(II) oxide (Geo)OMn
  3240 Mn(CO)C8 (BUTMNC) (Geo)C9H12OMn
  3241 Mn(CO)C8 (BUTMNC)C9H12OMn
  3242 Manganese (IV) dioxide, anionO2Mn
  3243 Manganese (V) trioxideO3Mn
  3244 Methyl manganese(VI) trioxide (Geo)CH3O3Mn
  3245 Cyclopentadienyl manganese tricarbonylC8H5O3Mn
  3246 Mn(CO)3Cp (CPMNCO) (Geo) C8H5O3Mn
  3247 Mn(CO)3C5 (HEXMNC) (Geo)C9H7O3Mn
  3248 Mn(CO)3C5 (HEXMNC)C9H7O3Mn
  3249 Permanganate anion (Geo)O4Mn
  3250 Permanganate anionO4Mn
  3251 Manganese phenanthroline tetrahydrate (Geo)C12H16N2O4Mn
  3252 Mn(CO)(NO)3CN3O4Mn
  3253 Mn(CO)(NO)3 (Geo)CN3O4Mn
  3254 Mn(CO)5C5O5Mn
  3255 Mn(CO)5HHC5O5Mn
  3256 Mn(CO)5H (Geo)HC5O5Mn


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)3Cp (CPMNCO)
 <Mn-C(O)> <><C-Mn-C> <Mn-C(ring)> GR=CCDC
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.79137300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.83585430 +1   91.3900610 +1    0.0000000 +0     1     2     0
  C     2.13867900 +1  155.5813315 +1  161.7057432 +1     1     2     3
  C     1.46522961 +1   71.8186886 +1   17.1469866 +1     4     1     2
  C     1.44071274 +1  107.6984911 +1  -61.0442511 +1     5     4     1
  C     1.45779025 +1  108.4612581 +1   -0.8814545 +1     6     5     4
  C     1.44852068 +1   72.0198732 +1 -116.5334000 +1     4     1     5
  O     2.98782382 +1   91.6622625 +1  107.0147192 +1     1     2     4
  O     1.15408773 +1  135.3276882 +1  179.8134430 +1     2     3     1
  O     1.15084963 +1  136.2537658 +1 -179.8645104 +1     3     2     1
  H     1.08290070 +1  129.3236878 +1 -122.2816621 +1     4     1     8
  H     1.08229592 +1  125.6710121 +1 -175.1179341 +1     5     4     6
  H     1.08424157 +1  126.0317313 +1 -175.2788564 +1     6     5     7
  H     1.08094447 +1  125.7502226 +1 -174.3398569 +1     7     6     5
  H     1.08440483 +1  125.9905886 +1 -123.4819943 +1     8     4     1
  C     1.15084899 +1   30.4286970 +1   -0.0544949 +1     9     2     1