Acta Cryst. (2006). E62, m3362-m3364  [ doi:10.1107/S1600536806047842 ]

Triaquabis(4-formylbenzoato-²O,O')cadmium(II) 3.5-hydrate

Z.-P. Deng, S. Gao, L.-H. Huo and H. Zhao

Online 17 November 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.003 Å
• R factor = 0.023
• wR factor = 0.053
• 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)  Cd1    -   O2      ..      10.81 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd1    -   O3      ..      13.57 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd1    -   O4      ..      12.03 su   

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C8      ..       5.09 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O5      ..       9.34 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         13      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              H2 O                                                             

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 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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