Acta Cryst. (2005). E61, m1039-m1041  [ doi:10.1107/S1600536805013760 ]

Bis(2,2'-bipyridine-²N,N')chlorocopper(II) tetrafluoroborate dichloromethane solvate

L. Jia, W. Fu, Q. Yin, M. Yu, J. Zhang and Z. Li

Online 7 May 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.012 Å
• Disorder in solvent or counterion
• R factor = 0.074
• wR factor = 0.223
• Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  C1     ..  F2'     ..       2.85 Ang.  

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.76       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C21     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         B1     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      47.00 Perc. 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N3  -CU1 -N1  -C1    133.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          5     
            N3  -CU1 -N1  -C5    -51.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         17     
            N1  -CU1 -N3  -C11   108.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         21     
            N1  -CU1 -N3  -C15   -75.00  3.00   1.555   1.555   1.555   1.555   
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.70 Deg.  
              F1   -B1   -F1'     1.555   1.555   1.555                         

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   8 ALERT type 4 Improvement, methodology, query or suggestion

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