Acta Cryst. (2006). E62, m3354-m3356  [ doi:10.1107/S160053680604712X ]

Dichlorotetrakis(1H-pyrazole-N²)copper(II)

Y.-H. Xing, J. Han, B.-L. Zhang, X.-J. Zhang, Y.-H. Zhang and G.-H. Zhou

Online 17 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.007 Å
• R factor = 0.049
• wR factor = 0.159
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cu1    -   Cl1     ..      45.72 su   

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.92      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   N4      ..       6.09 su   
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7      
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H4A    ...          ?      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A    ..  CL1     ..       2.89 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A    ..  CL1     ..       2.95 Ang. 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.921
            Tmax scaled      0.780 Tmin scaled      0.635
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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

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