Acta Cryst. (2004). E60, m538-m540  [ doi:10.1107/S1600536803029465 ]

A new heterometallic complex: [Mn(H₂O)₆][Co(dmg)₂(N₃)₂]₂·2H₂O, where dmg is dimethylglyoximate

X. Liu, B. Zhang, X. Wang, G. Shen, R.-J. Wang and D. Shen

Online 9 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.031
• wR factor = 0.077
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.52 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         N9     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Mn1     
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O4     -   H4D      =       1.06 Ang.  
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......         C4     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......         C5     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......         C8     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              H12 Mn O6                                                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion

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