Acta Cryst. (2007). E63, m1717  [ doi:10.1107/S1600536807024294 ]

A two-dimensional Co^II coordination polymer with the ligand 1,1'-bis[(1H-1,2,4-triazol-1-yl)methyl]ferrocene

X.-L. Zhou, X.-R. Meng and H.-W. Hou

Online 26 May 2007

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.009 Å
• R factor = 0.057
• wR factor = 0.190
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C22     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C27     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C28     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe2     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C35     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C37     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C39     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         10      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2D    ..  CL2     ..       2.87 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3D    ..  CL1     ..       2.90 Ang. 
PLAT731_ALERT_1_C Bond    Calc     1.48(2), Rep    1.480(9) ......       2.22 su-Ra
              C37  -C38     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     1.45(2), Rep    1.446(9) ......       2.22 su-Ra
              C39  -C40     1.555   1.555                                      

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co1         (2)       1.68      
PLAT794_ALERT_5_G Check Predicted Bond Valency for Fe1         (3)       3.88      
PLAT794_ALERT_5_G Check Predicted Bond Valency for Fe2         (3)       3.94      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        720      

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   7 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

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