Acta Cryst. (2004). E60, m244-m246  [ doi:10.1107/S1600536804000443 ]

Di--chloro-bis[(2,2':6,2''-terpyridine-³N)copper(II)] diperchlorate: the triclinic polymorph

G. Gasser, G. Labat and H. Stoeckli-Evans

Online 30 January 2004

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.015 Å
• R factor = 0.068
• wR factor = 0.185
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93       

Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.250     0.917
            Tmin' and Tmax expected:      0.420     0.917
            RR' =      0.595
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.59       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           25.96
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               5819
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         6260
           Completeness (_total/calc)             92.96%
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.100
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.93       
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         43 Perc. 
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....       Cl10     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....       Cl20     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            CL1 -CU1 -N2  -C6    -79.00 11.00   2.776   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         19     
            CL1 -CU1 -N2  -C10   103.00 11.00   2.776   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         73     
            N22 -CU2 -CL2 -CU2  -179.00100.00   1.555   1.555   1.555   2.665   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         87     
            CL2 -CU2 -N22 -C30   -95.00 12.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         91     
            CL2 -CU2 -N22 -C26    84.00 12.00   1.555   1.555   1.555   1.555   

   1 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  13 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   8 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion

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