Acta Cryst. (2004). E60, m133-m134  [ doi:10.1107/S1600536803028629 ]

Diamminediaquabis(4-pyridylthioacetato)copper(II)

Y.-Q. Huang, H. Zhang, J.-G. Chen, W. Zou, L. Li, Z.-B. Wei and S. W. Ng

Online 10 January 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• R factor = 0.034
• wR factor = 0.090
• Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.434     0.841
            Tmin' and Tmax expected:      0.555     0.841
            RR' =      0.783
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.76       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    -   O1W      =       7.09 su    
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.06       
PLAT706_ALERT_1_C H...A   Calc   2.143(15), Rep   2.160(10), Dev..       1.13 Sigma 
              H3#  -O1      1.555   2.554                                       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          5       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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