Acta Cryst. (2006). E62, m2860-m2862  [ doi:10.1107/S1600536806040451 ]

cyclo-Tetrakis(-1H-imidazole-4,5-dicarboxylato-⁴N,O:N',O')tetrakis[(2,2'-bipyridine-²N,N')cobalt(III)] hexadecahydrate

X.-F. Zhang, S. Gao, L.-H. Huo and S. W. Ng

Online 11 October 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.008 Å
• R factor = 0.054
• wR factor = 0.169
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.62 Ratio
PLAT415_ALERT_2_B Short Inter D-H..H-X       H5     ..  H3W1    ..       1.98 Ang. 
PLAT415_ALERT_2_B Short Inter D-H..H-X       H5     ..  H3W2    ..       2.02 Ang. 
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2W1   ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O3W    -   H3W1   ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O3W    -   H3W2   ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O4W    -   H4W1   ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O4W    -   H4W2   ...          ?      

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.64 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C12    -   C13     ..       6.44 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         16      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          8      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          9      
              H2 O                                                             

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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