Acta Cryst. (2009). E65, i89  [ doi:10.1107/S1600536809047096 ]

catena-Poly[[tetraaquacopper(II)]--trithionato-²O:O']

E. R. T. Tiekink

Online 14 November 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (Cu-O) = 0.004 Å
• R factor = 0.038
• wR factor = 0.108
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    S2     --  S3      ..      10.69 su   

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     --  S2      ..       5.81 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  O1      ..       8.65 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  O2      ..       8.46 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  O3      ..       8.45 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  O4      ..       8.27 su   
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         25      

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       7.02      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         12      
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c   ....      P21/n      

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

   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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