Acta Cryst. (2008). E64, i67-i68  [ doi:10.1107/S1600536808028377 ]

Co₃(PO₄)₂·4H₂O

Y. H. Lee, J. K. Clegg, L. F. Lindoy, G. Q. M. Lu, Y.-C. Park and Y. Kim

Online 13 September 2008

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (Co-O) = 0.003 Å
• R factor = 0.035
• wR factor = 0.103
• Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4     ..  O3      ..       2.66 Ang. 

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   H8 Co3 O12 P2
            Atom count from _chemical_formula_moiety:H8 O4
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         10      
PLAT793_ALERT_4_G Check the Absolute Configuration of P1     .....          S      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   0 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


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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