(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2009). E65, i28 [ doi:10.1107/S1600536809009088 ]

A polymorph structure of copper(II) hydrogenphosphite dihydrate

L. Yang, S. Li and Q. Wang

Online 19 March 2009

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (Cu-O) = 0.002 Å
R factor = 0.018
wR factor = 0.049
Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   296.000
            Value of melting point given =     0.000
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?

Alert level G
CHEMS02_ALERT_1_G  Please check that you have entered the correct
            _publ_requested_category classification of your compound;
            FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
            FO or CO or EO for organic.
            From the CIF: _publ_requested_category   EM
            From the CIF: _chemical_formula_sum:H5 Cu1 O5 P1
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical .          ?
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   4 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